N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
TL;DR: N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide (CAS 957510-89-3) is a chemical compound with molecular formula C11H9BrClN3O and molecular weight 312.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-4-chloro-1-methylpyrazole-5-carboxamide
Also Known As: N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide, N-(4-bromophenyl)-4-chloro-2-methylpyrazole-3-carboxamide, N-(4-bromophenyl)-4-chloro-2-methyl-pyrazole-3-carboxamide, N-(4-bromophenyl)(4-chloro-1-methylpyrazol-5-yl)carboxamide
| Molecular Formula | C11H9BrClN3O |
|---|---|
| Molecular Weight | 312.96 g/mol |
| LogP | 3.0883 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.96176 |
| Heavy Atoms | 17 |
| Complexity | 530.84424 |
Chemical Identifiers
| CAS Number | 957510-89-3 |
|---|---|
| SMILES | CN1C(=C(C=N1)Cl)C(=O)NC2=CC=C(C=C2)Br |
Product Overview
N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide (CAS 957510-89-3), with molecular formula C11H9BrClN3O and molecular weight 312.96 g/mol. IUPAC: N-(4-bromophenyl)-4-chloro-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
Property Insights of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
The XLogP value of 3.0883 indicates that N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 2 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-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide?
The CAS number of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide is 957510-89-3.
What is the molecular formula of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide?
The molecular formula of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide is C11H9BrClN3O.
What is the molecular weight of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide?
The molecular weight of N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide is 312.96 g/mol.
Where can I buy N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide?
You can request a quote for N-(4-bromophenyl)-4-chloro-1-methyl-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-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.