CAS 1002033-66-0

Ethyl 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetate

Description:

Ethyl 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetate is a chemical compound characterized by its unique structural features, including a pyrazole ring, a cyclopropyl group, and a trifluoromethyl substituent. This compound typically exhibits properties associated with pyrazole derivatives, such as potential biological activity and reactivity due to the presence of the trifluoromethyl group, which can enhance lipophilicity and influence pharmacokinetics. The ethyl acetate moiety contributes to its solubility in organic solvents, making it suitable for various applications in organic synthesis and medicinal chemistry. The presence of the cyclopropyl group may impart strain and unique steric effects, potentially affecting the compound's interaction with biological targets. Overall, this compound is of interest in research contexts, particularly in the development of agrochemicals or pharmaceuticals, due to its structural diversity and potential functional properties. As with any chemical substance, safety and handling precautions should be observed, given the presence of fluorinated groups which can pose environmental and health risks.

Formula: C₁₁H₁₃F₃N₂O₂

InChI: InChI=1S/C11H13F3N2O2/c1-2-18-10(17)6-16-8(7-3-4-7)5-9(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3

InChI key: InChIKey=OTBNUUMXSXCSSY-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)N1C(=CC(C(F)(F)F)=N1)C2CC2

Synonyms:

• 1H-Pyrazole-1-acetic acid, 5-cyclopropyl-3-(trifluoromethyl)-, ethyl ester
• Ethyl 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetate
• ethyl [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate