1-Amidinopyrazole Hydrochloride - ≥98% , CAS No.4023-02-3

CAS: 4023-02-3 Cat. No.: A107935 Molecular Weight: 146.58 Beilstein Registry Number: 5448758 EC Number: 609-797-5

GRADE & PURITY ≥98%

Synonyms

1 -amidinopyrazole monohydrochloride | 1H-Pyrazole-1-carboximidamide, hydrochloride (1:1) | 1H-Pyrazole-1-carboxamidine hydrochloride, 99% | BP-12531 | Z1691545247 | 1h-pyrazole-1-carboxamidine monohydrochloride | 1H-pyrazole-1-carboxamidine mono-hydrochl

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

1 -amidinopyrazole monohydrochloride | 1H-Pyrazole-1-carboximidamide, hydrochloride (1:1) | 1H-Pyrazole-1-carboxamidine hydrochloride, 99% | BP-12531 | Z1691545247 | 1h-pyrazole-1-carboxamidine monohydrochloride | 1H-pyrazole-1-carboxamidine mono-hydrochl

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192644
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192644
• Canonical Smiles: C1=CN(N=C1)C(=N)N.Cl
• IUPAC Name: pyrazole-1-carboximidamide;hydrochloride
• InChIKey: RBZRMBCLZMEYEH-UHFFFAOYSA-N
• INCHI: 1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
• Isomeric SMILES: C1=CN(N=C1)C(=N)N.Cl
• WGK Germany: 3
• Molecular Weight: 146.58
• Beilstein: 5448758
• Reaxy-Rn: 5448758
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5448758&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• Description: This 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: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

Discover Target: NOS3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Melt Point(°C): 167-170°C
• Molecular Weight: 146.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.036 Da
• Monoisotopic Mass: 146.036 Da
• Topological Polar Surface Area: 67.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Xinyu Dai, Yiping Liu, Fanrong Meng, Qiqing Li, Fengxia Wu, Jianguo Yuan, Haoran Chen, Huixin Lv, Yanmin Zhou, Yulei Chang.  (2023)  Amplification of oxidative damage using near-infrared II-mediated photothermal/thermocatalytic effects for periodontitis treatment.  Acta Biomaterialia,      [PMID:37714248] [10.1016/j.actbio.2023.09.014]

2. Jiamei Zhang, Xia Huang, Jiachang Chen, Sheng Zhou, Junying Chen.  (2023)  Polysaccharide-Based Supramolecular Hydrogel Coatings with Corrosion Barrier Zone for Protection of Patina Bronze.  Polymers,  15  (16): (3357).  [PMID:37631414] [10.3390/polym15163357]

3. Zengchao Guo, Jiang Xiao, Weiwei Liu, Yihan Wang, Tengfei Liu, Hui Jiang, Xiaohui Liu, Xuemei Wang.  (2022)  Cationic porphyrin-based nanoparticles assisted with bio-assembly imaging-guided strategy for efficient inactivation of bacteria and promote wound healing.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.141218]

4. Hui Liu, Miaomiao Han, Xiao Liu, Shengxiang Ji.  (2022)  Guanylation Significantly Enhances the Antifungal Activity of Poly(α-lysine).  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.2c01205]

5. Chen Fan, You Liang, Hongqiang Dong, Jiale Yang, Gang Tang, Wenbing Zhang, Dandan Kong, Jianqiang Li, Yongsong Cao.  (2018)  Guanidinium ionic liquid-controlled synthesis of zeolitic imidazolate framework for improving its adsorption property.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:29859434] [10.1016/j.scitotenv.2018.05.282]

6. Xiaojun Cai, Haiqing Dong, Junping Ma, Haiyan Zhu, Wei Wu, Meng Chu, Yongyong Li, Donglu Shi.  (2013)  Effects of spatial distribution of the nuclear localization sequence on gene transfection in catiomer–gene polyplexes.  Journal of Materials Chemistry B,  1  (12): (1712-1721).  [PMID:32260702] [10.1039/C3TB00425B]

7. Wenyan She, Pengdi Zhang, Linlin Guo, Yu Zhang, Haoyi Zhu, Yaping Wang, Yichao Zheng, Lin Hou.  (2025)  A dual-cell-targeting epigenetic nano-editor for reshaping the intratumoral T cell niche.  Nano Today,      [PMID:] [10.1016/j.nantod.2025.102842]

8. Hongwei Zhu, Lianghe Sun, Ming Lu, Yuangang Xu.  (2025)  Synthesis and characterization of a series of cyclo-N5− salts with layered stacking patterns.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.143111]