![N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide structure](/static/products/955/955962-39-7.png)
N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide
TL;DR: N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide (CAS 955962-39-7) is a chemical compound with molecular formula C16H17ClN4O and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-tert-butyl-3-(4-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
Also Known As: N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide, 10L-373S, N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyanopyrazol-3-yl]acetamide, N-[1-tert-butyl-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide, N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]acetamide
| Molecular Formula | C16H17ClN4O |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 3.78858 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1091 |
| Heavy Atoms | 22 |
| Complexity | 748.1786 |
Chemical Identifiers
| CAS Number | 955962-39-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=NN1C(C)(C)C)C2=CC=C(C=C2)Cl)C#N |
Product Overview
N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide (CAS 955962-39-7), with molecular formula C16H17ClN4O and molecular weight 316.11 g/mol. IUPAC: N-[1-tert-butyl-3-(4-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide.
Chemical Property Profile of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide
Property Insights of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide
The XLogP value of 3.78858 indicates that N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide. Following Lipinski's Rule of Five, N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide 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 N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide?
The CAS number of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide is 955962-39-7.
What is the molecular formula of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide?
The molecular formula of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide is C16H17ClN4O.
What is the molecular weight of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide?
The molecular weight of N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide is 316.11 g/mol.
Where can I buy N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide?
You can request a quote for N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(tert-butyl)-3-(4-chlorophenyl)-4-cyano-1H-pyrazol-5-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.