N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
TL;DR: N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CAS 491828-85-4) is a chemical compound with molecular formula C12H11BrN4O3 and molecular weight 338.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
Also Known As: N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide, N-(2-bromophenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide, N-(2-bromophenyl)-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C12H11BrN4O3 |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 2.65152 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.00146 |
| Heavy Atoms | 20 |
| Complexity | 696.00604 |
Chemical Identifiers
| CAS Number | 491828-85-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C(=O)NC2=CC=CC=C2Br)[N+](=O)[O-] |
Product Overview
N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CAS 491828-85-4), with molecular formula C12H11BrN4O3 and molecular weight 338.00 g/mol. IUPAC: N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
Property Insights of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
The XLogP value of 2.65152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2-bromophenyl)-1,5-dimethyl-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 N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The CAS number of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is 491828-85-4.
What is the molecular formula of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The molecular formula of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is C12H11BrN4O3.
What is the molecular weight of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The molecular weight of N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide is 338.00 g/mol.
Where can I buy N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
You can request a quote for N-(2-bromophenyl)-1,5-dimethyl-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-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromophenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.