1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 128694-66-6) is a chemical compound with molecular formula C7H7F3N2O2 and molecular weight 208.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
Also Known As: 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, 2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic Acid, 1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-, 3511AD, 2-Ethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C7H7F3N2O2 |
| Molecular Weight | 208.04596 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04596 Da |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
| SMILES | CCN1C(=CC(=N1)C(F)(F)F)C(=O)O |
| InChIKey | IWLWUGGGZQMPIX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-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 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is 128694-66-6.
What is the molecular formula of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is C7H7F3N2O2.
What is the molecular weight of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is 208.04596 g/mol.
Where can I buy 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.