4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 128694-71-3) is a chemical compound with molecular formula C6H4ClF3N2O2 and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
Also Known As: 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic Acid, 4-Chloro-2-methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid, 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE), 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxyl
| Molecular Formula | C6H4ClF3N2O2 |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 1.7905 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.99133 |
| Heavy Atoms | 14 |
| Complexity | 385.16373 |
Chemical Identifiers
| CAS Number | 128694-71-3 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)Cl)C(=O)O |
Product Overview
4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 128694-71-3), with molecular formula C6H4ClF3N2O2 and molecular weight 227.99 g/mol. IUPAC: 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.7905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-chloro-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-chloro-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-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is 128694-71-3.
What is the molecular formula of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is C6H4ClF3N2O2.
What is the molecular weight of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is 227.99 g/mol.
Where can I buy 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-chloro-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-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.