![N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide structure](/static/products/5148/514855-71-1.webp)
N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide
TL;DR: N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide (CAS 514855-71-1) is a chemical compound with molecular formula C20H18ClFN4O3 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-nitrophenyl)acetamide
Also Known As: N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide, N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-nitrophenyl)acetamide, N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-{4-nitrophenyl}acetamide, N-{1-[(6-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}-2-(4-nitrophe nyl)acetamide
| Molecular Formula | C20H18ClFN4O3 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.43014 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.10513 |
| Heavy Atoms | 29 |
| Complexity | 1059.8256 |
Chemical Identifiers
| CAS Number | 514855-71-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide (CAS 514855-71-1), with molecular formula C20H18ClFN4O3 and molecular weight 416.11 g/mol. IUPAC: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-nitrophenyl)acetamide.
Chemical Property Profile of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide
Property Insights of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide
The XLogP value of 4.43014 indicates that N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide 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 N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide?
The CAS number of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide is 514855-71-1.
What is the molecular formula of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide?
The molecular formula of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide is C20H18ClFN4O3.
What is the molecular weight of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide?
The molecular weight of N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide is 416.11 g/mol.
Where can I buy N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide?
You can request a quote for N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)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-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.