5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
TL;DR: 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile (CAS 7152-40-1) is a chemical compound with molecular formula C12H9N5 and molecular weight 223.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile
Also Known As: 5-AMINO-4-CYANO-3-CYANOMETHYL-1-PHENYLPYRAZOLE, 5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile, Maybridge1_007079, 5-Amino-4-cyano-1-phenyl-3-pyrazoleacetonitrile, 5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile
| Molecular Formula | C12H9N5 |
|---|---|
| Molecular Weight | 223.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0858 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 7152-40-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N |
| InChIKey | GUHSDYKJSKLWJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile (CAS 7152-40-1), with molecular formula C12H9N5 and molecular weight 223.09 g/mol. IUPAC: 5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
Property Insights of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile. Following Lipinski's Rule of Five, 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile?
The CAS number of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile is 7152-40-1.
What is the molecular formula of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile?
The molecular formula of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile is C12H9N5.
What is the molecular weight of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile?
The molecular weight of 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile is 223.09 g/mol.
Where can I buy 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile?
You can request a quote for 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.