N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
TL;DR: N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide (CAS 491829-25-5) is a chemical compound with molecular formula C14H14N4O4 and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
Also Known As: N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide, N-(3-acetylphenyl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide, N~3~-(3-ACETYLPHENYL)-1-ETHYL-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C14H14N4O4 |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | 2.2661 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1015 |
| Heavy Atoms | 22 |
| Complexity | 751.05115 |
Chemical Identifiers
| CAS Number | 491829-25-5 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-] |
Product Overview
N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide (CAS 491829-25-5), with molecular formula C14H14N4O4 and molecular weight 302.10 g/mol. IUPAC: N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
Property Insights of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.2661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 5 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-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide is 491829-25-5.
What is the molecular formula of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide is C14H14N4O4.
What is the molecular weight of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide is 302.10 g/mol.
Where can I buy N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-(3-acetylphenyl)-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-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.