N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
TL;DR: N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide (CAS 515174-89-7) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
Also Known As: N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide, N-(3,5-dimethylphenyl)(4-nitropyrazol-3-yl)carboxamide, N-(3,5-dimethylphenyl)-4-nitro-2H-pyrazole-3-carboxamide, 1H-Pyrazole-3-carboxamide, N-(3,5-dimethylphenyl)-4-nitro- (9CI), N~3~-(3,5-DIMETHYLPHENYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 2.18704 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 627.9241 |
Chemical Identifiers
| CAS Number | 515174-89-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)C2=C(C=NN2)[N+](=O)[O-])C |
Product Overview
N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide (CAS 515174-89-7), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-5-carboxamide.
Chemical Property Profile of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Property Insights of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
The XLogP value of 2.18704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide has 2 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-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide?
The CAS number of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide is 515174-89-7.
What is the molecular formula of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide?
The molecular formula of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide is C12H12N4O3.
What is the molecular weight of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide?
The molecular weight of N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide is 260.09 g/mol.
Where can I buy N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide?
You can request a quote for N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethylphenyl)-4-nitro-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.