CAS 860611-55-8

2-(2,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)ethyl 4-(trifluoromethyl)benzoate

Description:

2-(2,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)ethyl 4-(trifluoromethyl)benzoate is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a benzoate moiety. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit properties typical of pyrazole derivatives, such as potential anti-inflammatory or analgesic effects, although specific biological activities would depend on further empirical studies. The molecular structure suggests it may participate in hydrogen bonding due to the presence of functional groups, which can affect its solubility and reactivity. Additionally, the compound's stability and reactivity can be influenced by the electron-withdrawing trifluoromethyl group, which can alter the electronic properties of the aromatic system. Overall, this compound represents a class of organic molecules that may have applications in medicinal chemistry, particularly in the development of new therapeutic agents.

Formula: C₂₀H₁₇F₃N₂O₃

InChI: InChI=1S/C20H17F3N2O3/c1-13-17(18(26)25(24-13)16-5-3-2-4-6-16)11-12-28-19(27)14-7-9-15(10-8-14)20(21,22)23/h2-10,24H,11-12H2,1H3

InChI key: InChIKey=TVRMBYBAQCXRKE-UHFFFAOYSA-N

SMILES: O=C1N(NC(C)=C1CCOC(=O)C2=CC=C(C(F)(F)F)C=C2)C3=CC=CC=C3

Synonyms:

• Benzoic acid, 4-(trifluoromethyl)-, 2-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)ethyl ester
• 2-(2,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)ethyl 4-(trifluoromethyl)benzoate
• 2-(5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)ETHYL 4-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
• 2-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ethyl 4-(trifluoromethyl)benzenecarboxy