AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
1H-pyrazol | BDBM50390969 | BP-12835 | HY-76228 | InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5 | STR00103 | EN300-21658 | PYRAZOLE [MI] | Pyrazole; 1H-Pyrazole; 1,2-Diazole; 2-Azapyrrole; NSC 45410 | NSC 45410 | FT-0658357 | Z104507728 | 1H-Pyrazole | 1,2-dia
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
P423007-1ml
1
$36.90
Enter a quantity for the sizes you want to add.

Specifications

Synonyms
1H-pyrazol | BDBM50390969 | BP-12835 | HY-76228 | InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H, (H, 4, 5 | STR00103 | EN300-21658 | PYRAZOLE [MI] | Pyrazole; 1H-Pyrazole; 1, 2-Diazole; 2-Azapyrrole; NSC 45410 | NSC 45410 | FT-0658357 | Z104507728 | 1H-Pyrazole | 1, 2-dia
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC1=CNN=C1
IUPAC Name1H-pyrazole
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
INCHI1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
Isomeric SMILES C1=CNN=C1
WGK Germany 1
RTECS UQ4900000
Molecular Weight 68.08
Beilstein 103775
Reaxy-Rn 103775
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103775&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPyrazoles
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHN (49357 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KM12 (47707 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-4 (44535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXF 393 (41971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-5 (47095 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SN12C (47755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-19 (46794 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TK-10 (45540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-62 (47335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UO-31 (46270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
786-0 (47912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EKVX (44102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H322M (45589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC 2998 (41480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-92 (41141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hs-578T (29457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-268 (49410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IGROV-1 (47897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LOX IMVI (44321 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-62 (47048 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-N (28205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Malme-3M (44254 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-75 (44215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H226 (44470 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H23 (49055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityHygroscopic,air sensitive
Boil Point(°C)186-188°C
Melt Point(°C)67-70°C
Molecular Weight68.080 g/mol
XLogP30.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass68.0374 Da
Monoisotopic Mass68.0374 Da
Topological Polar Surface Area28.700 Ų
Heavy Atom Count5
Formal Charge0
Complexity28.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
References
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2. Chao Feng, Chang-Peng Lv, Jing-Jing Guo, Dong-Xu Li, Juan-Ni Zhang.  (2023)  Highly stable supercapacitive performance on a copper-based co-crystal complex.  MOLECULAR CRYSTALS AND LIQUID CRYSTALS,      [PMID:] [10.1080/15421406.2023.2220238]
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7. Sumbal Farid, Qing Mao, Suzhen Ren, Ce Hao, Xufeng Dong.  (2022)  Promoting the Oxygen Evolution Reaction via Morphological Manipulation of a Lamellar Nanorod-Assembled Ni(II)-Pyrazolate Superstructure.  ACS Applied Materials & Interfaces,      [PMID:36240000] [10.1021/acsami.2c14192]
8. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]
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10. Wenjie Xiong, Mingzhen Shi, Lingling Peng, Xiaomin Zhang, Xingbang Hu, Youting Wu.  (2021)  Low viscosity superbase protic ionic liquids for the highly efficient simultaneous removal of H2S and CO2 from CH4.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2021.118417]
11. Dan Li, Yong Kang, Jie Li, Zongchi Wang, Zhinan Yan, Kai Sheng.  (2020)  Chemically tunable DILs: Physical properties and highly efficient capture of low-concentration SO2.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2020.116572]
12. Sihui Huang, Ting Zhang, Chunli Jiang, Chunhua Luo, Hechun Lin, Ye Chen, Ruijuan Qi, Wenlei Yu, Hui Peng.  (2019)  The synthesis of MAPbBr3 nanoplatelets with long-term stability and high photoluminescence quantum yield through controlling the synthetic temperature and dilution treatment.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2019.116984]
13. Ying Sun, Shuhang Ren, Yucui Hou, Kai Zhang, Weize Wu.  (2019)  Highly Efficient Absorption of NO by Dual Functional Ionic Liquids with Low Viscosity.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.9b02011]
14. Junhai Wu, Bihong Lv, Xiaomin Wu, Zuoming Zhou, Guohua Jing.  (2019)  Aprotic Heterocyclic Anion-Based Dual-Functionalized Ionic Liquid Solutions for Efficient CO2 Uptake: Quantum Chemistry Calculation and Experimental Research.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.9b00420]
15. Xiaoyan Pei, Dazhen Xiong, Yuanchao Pei, Huiyong Wang, Jianji Wang.  (2018)  Switchable oil–water phase separation of ionic liquid-based microemulsions by CO2.  GREEN CHEMISTRY,  20  (18): (4236-4244).  [PMID:] [10.1039/C8GC00801A]
16. Lin Wang, Qijing Bing, Jianxin Li, Guang Wang.  (2018)  A new “ON-OFF” fluorescent and colorimetric chemosensor based on 1,3,4-oxadiazole derivative for the detection of Cu2+ ions.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2018.04.015]
17. Wang Fanwei, Duan Hongdong, Xing Dianxiang, Yang Geng.  (2017)  Novel Turn-on Fluorescence Probes for Al3+ Based on Conjugated Pyrazole Schiff Base.  JOURNAL OF FLUORESCENCE,  27  (5): (1721-1727).  [PMID:28497408] [10.1007/s10895-017-2110-6]
18. Yingjie Xu.  (2017)  CO2 absorption behavior of azole-based protic ionic liquids: Influence of the alkalinity and physicochemical properties.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2017.03.001]
19. Yurou Shao, Yangyang Jiang, Dong Wang, Benshuai Guo, Jingyan Zhao, Zhibin Zhou, Jianqiu Chen, Ruixin Guo, Yuntao Lei, Lili Jin.  (2024)  A facile synthesis of trioctylphosphine oxide-based azole deep eutectic solvents: Efficient reversible CO2 capture.  FUEL,      [PMID:] [10.1016/j.fuel.2024.132534]
20. Bin Chen, Hegang Shu, Yujun Guo, Yingjie Xu.  (2024)  CO2 capture and viscosity of metal chelate-based ionic liquids: Influence of the structure and substitution of the azole-based anion.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.126574]
21. Jiawei Ruan, Lifang Chen, Xinzi Wu, Shaokang Qian, Kunchi Xie, Xiaoyi Zhang, Hongye Cheng, Zhen Song, Zhiwen Qi.  (2024)  Hydroxyl-functionalization promoted activity and recovery of ionic liquids in direct dimethyl carbonate synthesis from CO2.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2024.124557]
22. Shihao Fu, Chang Sun, Lixin Han, Zhiqiang Li, Shuai Guo, Guangbin Li, Zhu Long.  (2025)  Mechanically Strong and Thermally Insulating Polyimide Aerogels by Homogeneity Reinforcement of Aluminum Oxide Cluster.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.56872]
23. Xiaojiang Li, Xingqiao Zhang, Chengwei Zuo, Han Zhang, Zhenfu Jia.  (2024)  Sustainable Recovery of Petroleum Hydrocarbons by Deep Eutectic Solvents with CO2-Controllable Polarity.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c01064]
24. Wanting Zhang, Jiawei Ruan, Xinzi Wu, Qian Liu, Kunchi Xie, Lifang Chen, Zhiwen Qi.  (2025)  1-Butyl-1-methylpyrrolidinium-based ionic liquids for integrated CO2 absorption and transformation into dimethyl carbonate.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168788]
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