3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid (CAS 1038398-68-3) is a chemical compound with molecular formula C11H7F3N2O2 and molecular weight 256.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
Also Known As: 3-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID, KX2-391 dihydrochloride, 5-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid, 5-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid, 3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
Technical Specifications
| Molecular Formula | C11H7F3N2O2 |
| Molecular Weight | 256.04596 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04596 Da |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)C(F)(F)F |
| InChIKey | SXCLKFLMZFOPIX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid has 2 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 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid is 1038398-68-3.
What is the molecular formula of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid is C11H7F3N2O2.
What is the molecular weight of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid is 256.04596 g/mol.
Where can I buy 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.