![N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide structure](/static/products/957/957513-39-2.png)
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
TL;DR: N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide (CAS 957513-39-2) is a chemical compound with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
Also Known As: BAS 06331181, N-(4-chlorobenzyl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide, N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide, 1-Ethyl-4-nitro-1H-pyrazole-3-carboxylic acid 4-chloro-benzylamide, N-[(4-chlorophenyl)methyl](1-ethyl-4-nitropyrazol-3-yl)carboxamide
| Molecular Formula | C13H13ClN4O3 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.3946 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.06763 |
| Heavy Atoms | 21 |
| Complexity | 666.5559 |
Chemical Identifiers
| CAS Number | 957513-39-2 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide (CAS 957513-39-2), with molecular formula C13H13ClN4O3 and molecular weight 308.07 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
Property Insights of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide 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-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide is 957513-39-2.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide is C13H13ClN4O3.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide is 308.07 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.