4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 497833-07-5) is a chemical compound with molecular formula C6H4BrF3N2O2 and molecular weight 271.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
Also Known As: 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, 4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic Acid, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-3-(trifluoromethyl)-, J2.677.556F, 1H-Pyrazole-4-carboxaldehyde, 1-phenyl-5-(trifluoromethyl)-
| Molecular Formula | C6H4BrF3N2O2 |
|---|---|
| Molecular Weight | 271.94 g/mol |
| LogP | 1.8996 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.94083 |
| Heavy Atoms | 14 |
| Complexity | 385.16373 |
Chemical Identifiers
| CAS Number | 497833-07-5 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)O |
Product Overview
4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 497833-07-5), with molecular formula C6H4BrF3N2O2 and molecular weight 271.94 g/mol. IUPAC: 4-bromo-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.8996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 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 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is 497833-07-5.
What is the molecular formula of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is C6H4BrF3N2O2.
What is the molecular weight of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is 271.94 g/mol.
Where can I buy 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 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-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.