5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile
TL;DR: 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile (CAS 5334-44-1) is a chemical compound with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
Also Known As: 5-ACETAMIDO-1-(P-CHLOROPHENYL)-PYRAZOLE-4-CARBONITRILE, n-[1-(4-chlorophenyl)-4-cyano-1h-pyrazol-5-yl]acetamide, N-[2-(4-chlorophenyl)-4-cyanopyrazol-3-yl]acetamide, N-[2-(4-chloro-phenyl)-4-cyano-2H-pyrazol-3-yl]-acetamide, N-[1-(4-Chlorophenyl)-4-cyano-1H-pyrazol-5-yl]ethanimidic acid
| Molecular Formula | C12H9ClN4O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.04648 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 5334-44-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=NN1C2=CC=C(C=C2)Cl)C#N |
| InChIKey | WXQHBLWNLLKOII-UHFFFAOYSA-N |
Product Overview
5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile (CAS 5334-44-1), with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol. IUPAC: N-[1-(4-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide.
Chemical Property Profile of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile
Property Insights of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile has 1 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 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile?
The CAS number of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile is 5334-44-1.
What is the molecular formula of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile?
The molecular formula of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile is C12H9ClN4O.
What is the molecular weight of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile?
The molecular weight of 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile is 260.05 g/mol.
Where can I buy 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile?
You can request a quote for 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetamido-1-(P-chlorophenyl)-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.