1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide
TL;DR: 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide (CAS 491829-58-4) is a chemical compound with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide
Also Known As: 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide, 1-ethyl-4-nitro-N-(2-isopropyl-6-methylphenyl)-1H-pyrazole-3-carboxamide, 1-ETHYL-N~3~-(2-ISOPROPYL-6-METHYLPHENYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C16H20N4O3 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 3.49532 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.15353 |
| Heavy Atoms | 23 |
| Complexity | 749.77875 |
Chemical Identifiers
| CAS Number | 491829-58-4 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=C(C=CC=C2C(C)C)C)[N+](=O)[O-] |
Product Overview
1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide (CAS 491829-58-4), with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol. IUPAC: 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide
Property Insights of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide
The XLogP value of 3.49532 indicates that 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-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 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide?
The CAS number of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide is 491829-58-4.
What is the molecular formula of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide is C16H20N4O3.
What is the molecular weight of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide is 316.15 g/mol.
Where can I buy 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-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 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.