5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole
TL;DR: 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole (CAS 377058-68-9) is a chemical compound with molecular formula C10H9BrN4O2 and molecular weight 295.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
Also Known As: 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole, N-(2-bromophenyl)-3-methyl-4-nitro-1H-pyrazol-5-amine, N-(2-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
| Molecular Formula | C10H9BrN4O2 |
|---|---|
| Molecular Weight | 295.99 g/mol |
| LogP | 3.13242 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.99088 |
| Heavy Atoms | 17 |
| Complexity | 567.1836 |
Chemical Identifiers
| CAS Number | 377058-68-9 |
|---|---|
| SMILES | CC1=C(C(=NN1)NC2=CC=CC=C2Br)[N+](=O)[O-] |
Product Overview
5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole (CAS 377058-68-9), with molecular formula C10H9BrN4O2 and molecular weight 295.99 g/mol. IUPAC: N-(2-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
Chemical Property Profile of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole
Property Insights of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole
The XLogP value of 3.13242 indicates that 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole. Following Lipinski's Rule of Five, 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole 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 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole?
The CAS number of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole is 377058-68-9.
What is the molecular formula of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole?
The molecular formula of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole is C10H9BrN4O2.
What is the molecular weight of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole?
The molecular weight of 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole is 295.99 g/mol.
Where can I buy 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole?
You can request a quote for 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-bromoanilino)-4-nitro-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.