3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile
TL;DR: 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile (CAS 475626-50-7) is a chemical compound with molecular formula C13H9ClN4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile
Also Known As: 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile, 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile, 3-(4-Chlorophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C13H9ClN4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.98886 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.05157 |
| Heavy Atoms | 18 |
| Complexity | 628.49133 |
Chemical Identifiers
| CAS Number | 475626-50-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C=C2C#N)CCC#N)Cl |
Product Overview
3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile (CAS 475626-50-7), with molecular formula C13H9ClN4 and molecular weight 256.05 g/mol. IUPAC: 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile
Property Insights of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile
The XLogP value of 2.98886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile?
The CAS number of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile is 475626-50-7.
What is the molecular formula of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile?
The molecular formula of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile is C13H9ClN4.
What is the molecular weight of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile?
The molecular weight of 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile is 256.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile?
You can request a quote for 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-4-cyano-1H-pyrazole-1-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.