![4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide structure](/static/products/3459/345952-27-4.webp)
4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
TL;DR: 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide (CAS 345952-27-4) is a chemical compound with molecular formula C12H12BrN3OS and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
Also Known As: 4-bromo-2-methyl-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide, 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide, 4-Bromo-1-methyl-N-(2-(methylthio)phenyl)-1H-pyrazole-5-carboxamide, 4-bromo-1-methyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide, RefChem:290523
| Molecular Formula | C12H12BrN3OS |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.98846 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 345952-27-4 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2SC |
| InChIKey | SVRSFVIKPMGKOW-UHFFFAOYSA-N |
Product Overview
4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide (CAS 345952-27-4), with molecular formula C12H12BrN3OS and molecular weight 324.99 g/mol. IUPAC: 4-bromo-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide.
Chemical Property Profile of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
Property Insights of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 3 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 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide?
The CAS number of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide is 345952-27-4.
What is the molecular formula of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide?
The molecular formula of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide is C12H12BrN3OS.
What is the molecular weight of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide?
The molecular weight of 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide is 324.99 g/mol.
Where can I buy 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide?
You can request a quote for 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-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 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-methyl-N-[2-(methylthio)phenyl]-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.