N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 300388-15-2) 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-benzyl-1-methyl-4-nitropyrazole-5-carboxamide
Also Known As: N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide, N-benzyl-2-methyl-4-nitropyrazole-3-carboxamide, N-benzyl-2-methyl-4-nitro-pyrazole-3-carboxamide, (1-methyl-4-nitropyrazol-5-yl)-N-benzylcarboxamide, 2-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid benzylamide
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 300388-15-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2 |
| InChIKey | DOOVCFBYVURMRD-UHFFFAOYSA-N |
Product Overview
N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide (CAS 300388-15-2), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: N-benzyl-1-methyl-4-nitropyrazole-5-carboxamide.
Chemical Property Profile of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-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 N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is 300388-15-2.
What is the molecular formula of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is C12H12N4O3.
What is the molecular weight of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is 260.09 g/mol.
Where can I buy N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.