1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide
TL;DR: 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide (CAS 515175-08-3) is a chemical compound with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(4-methyl-3-nitrophenyl)pyrazole-4-carboxamide
Also Known As: 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide, 1-ethyl-N-(4-methyl-3-nitrophenyl)pyrazole-4-carboxamide, 1-ethyl-N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C13H14N4O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 2.37192 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1066 |
| Heavy Atoms | 20 |
| Complexity | 663.3859 |
Chemical Identifiers
| CAS Number | 515175-08-3 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-] |
Product Overview
1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide (CAS 515175-08-3), with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol. IUPAC: 1-ethyl-N-(4-methyl-3-nitrophenyl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide
Property Insights of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide
The XLogP value of 2.37192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-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 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide?
The CAS number of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide is 515175-08-3.
What is the molecular formula of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide?
The molecular formula of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide is C13H14N4O3.
What is the molecular weight of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide?
The molecular weight of 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide is 274.11 g/mol.
Where can I buy 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide?
You can request a quote for 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-{3-nitro-4-methylphenyl}-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.