1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 119083-00-0) is a chemical compound with molecular formula C6H5F3N2O2 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, Penthiopyrad metabolite, Penthiopyrad metabolite PCA, 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid, 1-adamantane carboxylic acid
| Molecular Formula | C6H5F3N2O2 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.1371 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03032 |
| Heavy Atoms | 13 |
| Complexity | 342.13882 |
Chemical Identifiers
| CAS Number | 119083-00-0 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(F)(F)F)C(=O)O |
Product Overview
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 119083-00-0), with molecular formula C6H5F3N2O2 and molecular weight 194.03 g/mol. IUPAC: 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 1.1371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-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 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 119083-00-0.
What is the molecular formula of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is C6H5F3N2O2.
What is the molecular weight of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 194.03 g/mol.
Where can I buy 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.