3-Aminopyrazole - ≥98% , CAS No.1225387-53-0

CAS: 1225387-53-0 Cat. No.: H586683 Molecular Weight: 83.1

GRADE & PURITY ≥98%

Synonyms

3-Aminopyrazole | 3-amino-pyrazole | 4,4'-DDOH | 6-Amc | PS-9370 | DTXSID00171229 | EN300-27598 | F0001-0657 | STK292780 | 3-Aminopyrazole, 98% | PS-9369 | FT-0600489 | 1H-Pyrazol-3-amine | BCP27171 | 2H-pyrazol-3-ylamine | AKOS002657057 | Hippuric acid,

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-Aminopyrazole | 3-amino-pyrazole | 4, 4'-DDOH | 6-Amc | PS-9370 | DTXSID00171229 | EN300-27598 | F0001-0657 | STK292780 | 3-Aminopyrazole, 98% | PS-9369 | FT-0600489 | 1H-Pyrazol-3-amine | BCP27171 | 2H-pyrazol-3-ylamine | AKOS002657057 | Hippuric acid,

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=C(NN=C1)N
• IUPAC Name: 1H-pyrazol-5-amine
• InChIKey: JVVRJMXHNUAPHW-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
• Isomeric SMILES: C1=C(NN=C1)N
• Molecular Weight: 83.1
• Reaxy-Rn: 605752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605752&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 Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 83.090 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0483 Da
• Monoisotopic Mass: 83.0483 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 45.300
• 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: 1

References

1. Pei Chen, Hui Zhu, Tianhao Na, Yong Yi, Jian Zhou, Tao Duan, Jiehong Lei.  (2023)  Functionalized collagen fiber with specific recognition sites for highly efficient iodine capture: theoretical calculations and experimental verification.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146660]

2. Xiaoyun Zhang, Yinhang Zhang, Yuxin Su, Xiaoyang Wang, Renqing Lv.  (2022)  Synthesis and Corrosion Inhibition Performance of Mannich Bases on Mild Steel in Lactic Acid Media.  ACS Omega,      [PMID:36120014] [10.1021/acsomega.2c03545]

3. Xiao-San Li, Mao-Xun Yang, Yu-Hao Luo, He-Hui Zhan, Mei-Fang Chen, Yong-Mei Huang, Li Liu, Xue-Mei Yang.  (2022)  Design, Synthesis and Anticancer Activity of Novel Steroidal Derivatives with D-Ring Fused or Substituted N-Heterocyclic Systems.  CHEMISTRY & BIODIVERSITY,  19  (10): (e202200648).  [PMID:36043381] [10.1002/cbdv.202200648]

4. Pei Chen, Hui Zhu, Tianhao Na, Yong Yi, Jian Zhou, Tao Duan, Jiehong Lei.  (2023)  Pyrazole-directed functionalization of activated collagen fiber for highly specific capture of iodine vapor.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.158917]