CAS 1002033-65-9

Ethyl 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetate

Description:

Ethyl 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetate is a chemical compound characterized by its unique structural features, which include a pyrazole ring substituted with a chloro group, a cyclopropyl group, and a trifluoromethyl group. This compound is typically classified as a pyrazole derivative, which is known for its diverse biological activities, including potential applications in pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group often enhances lipophilicity and metabolic stability, making such compounds of interest in drug design. Additionally, the ethyl acetate moiety contributes to its solubility properties, which can influence its reactivity and interaction with biological targets. The compound's molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and cycloadditions, which can be exploited in synthetic chemistry. Overall, this compound exemplifies the complexity and versatility of heterocyclic chemistry, with implications in medicinal chemistry and material science.

Formula: C₁₁H₁₂ClF₃N₂O₂

InChI: InChI=1S/C11H12ClF3N2O2/c1-2-19-7(18)5-17-9(6-3-4-6)8(12)10(16-17)11(13,14)15/h6H,2-5H2,1H3

InChI key: InChIKey=DBBUGUWOCNGNQM-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-1-acetic acid, 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-, ethyl ester
• Ethyl 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetate

Ethyl [4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate

CAS: 1002033-65-9

Versatile small molecule scaffold

Formula: C₁₁H₁₂ClF₃N₂O₂

Purity: Min. 95%

Molecular weight: 296.67 g/mol

Ref: 3D-CQB03365