ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate
TL;DR: ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate (CAS 956964-67-3) is a chemical compound with molecular formula C13H10ClN3O2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-chlorophenyl)-4-cyanopyrazole-5-carboxylate
Also Known As: ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate, ethyl 2-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate, 5L-054, ethyl 2-(4-chlorophenyl)-4-cyano-pyrazole-3-carboxylate, ethyl1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate
| Molecular Formula | C13H10ClN3O2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.57408 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.04614 |
| Heavy Atoms | 19 |
| Complexity | 640.8982 |
Chemical Identifiers
| CAS Number | 956964-67-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NN1C2=CC=C(C=C2)Cl)C#N |
Product Overview
ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate (CAS 956964-67-3), with molecular formula C13H10ClN3O2 and molecular weight 275.05 g/mol. IUPAC: ethyl 1-(4-chlorophenyl)-4-cyanopyrazole-5-carboxylate.
Chemical Property Profile of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate
Property Insights of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate
The XLogP value of 2.57408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate has 0 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 ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate is 956964-67-3.
What is the molecular formula of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate is C13H10ClN3O2.
What is the molecular weight of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate is 275.05 g/mol.
Where can I buy ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.