N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
TL;DR: N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide (CAS 299405-01-9) is a chemical compound with molecular formula C11H9ClN4O3 and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-1-methyl-4-nitropyrazole-3-carboxamide
Also Known As: BAS 00218892, N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide, N-(4-chlorophenyl)-1-methyl-4-nitropyrazole-3-carboxamide, N-(4-chlorophenyl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide, A0807/0037758
| Molecular Formula | C11H9ClN4O3 |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.03632 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 299405-01-9 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | NDZGLBSMXINCHL-UHFFFAOYSA-N |
Product Overview
N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide (CAS 299405-01-9), with molecular formula C11H9ClN4O3 and molecular weight 280.04 g/mol. IUPAC: N-(4-chlorophenyl)-1-methyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Property Insights of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-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)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The CAS number of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide is 299405-01-9.
What is the molecular formula of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The molecular formula of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide is C11H9ClN4O3.
What is the molecular weight of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The molecular weight of N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide is 280.04 g/mol.
Where can I buy N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide?
You can request a quote for N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-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)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.