N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide
TL;DR: N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide (CAS 94540-59-7) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-2-phenylpyrazol-3-yl)-3-nitrobenzamide
Also Known As: N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide, N-(5-methyl-2-phenylpyrazol-3-yl)-3-nitrobenzamide, N-(3-methyl-1-phenyl-5-pyrazolyl)m-nitrobenzamide, N-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-nitro-benzamide, N-(3-methyl-1-phenylpyrazol-5-yl)(3-nitrophenyl)carboxamide
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 94540-59-7 |
|---|---|
| SMILES | CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | WBVMOEYCRUSIGM-UHFFFAOYSA-N |
Product Overview
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide (CAS 94540-59-7), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: N-(5-methyl-2-phenylpyrazol-3-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide
Property Insights of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide
The XLogP value of 3.3 indicates that N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide 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-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide?
The CAS number of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide is 94540-59-7.
What is the molecular formula of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide?
The molecular formula of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide is C17H14N4O3.
What is the molecular weight of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide?
The molecular weight of N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide is 322.11 g/mol.
Where can I buy N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide?
You can request a quote for N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.