4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS 1001519-38-5) is a chemical compound with molecular formula C6H4ClF3N2O2 and molecular weight 227.99133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
Also Known As: 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid, 4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic Acid, 4-CHLORO-1-METHYL-5-TRIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID, 4-chloro-5-trifluoromethyl-1-methylpyrazole-3-carboxylic acid, 4-CHLORO-1-METHYL-5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C6H4ClF3N2O2 |
| Molecular Weight | 227.99133 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.99133 Da |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
| SMILES | CN1C(=C(C(=N1)C(=O)O)Cl)C(F)(F)F |
| InChIKey | ZGXCZXXWVJQHJG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid is 1001519-38-5.
What is the molecular formula of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid is C6H4ClF3N2O2.
What is the molecular weight of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid is 227.99133 g/mol.
Where can I buy 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.