CAS 1315366-32-5

1-[1-(1,1-Dimethylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2,2,2-trifluoroethanone

Description:

1-[1-(1,1-Dimethylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2,2,2-trifluoroethanone, identified by its CAS number 1315366-32-5, is a chemical compound characterized by its unique structural features, including a pyrazole ring and a trifluoroethanone moiety. The presence of the bulky tert-butyl group and additional methyl groups on the pyrazole ring contributes to its steric hindrance, which can influence its reactivity and interactions with other molecules. The trifluoroethanone group imparts significant polarity and can enhance the compound's solubility in polar solvents. This compound may exhibit interesting biological activities due to its structural complexity, making it a candidate for various applications in medicinal chemistry and agrochemicals. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability and reactivity would be assessed under various conditions. Overall, this compound represents a class of pyrazole derivatives that may have potential utility in research and development.

Formula: C₁₁H₁₅F₃N₂O

InChI: InChI=1S/C11H15F3N2O/c1-6-8(9(17)11(12,13)14)7(2)16(15-6)10(3,4)5/h1-5H3

InChI key: InChIKey=IJRGGQPBKIMHOE-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(=O)C1=C(C)N(C(C)(C)C)N=C1C

Synonyms:

• 1-[1-(1,1-Dimethylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2,2,2-trifluoroethanone
• 1-(1-tert-Butyl-3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one
• Ethanone, 1-[1-(1,1-dimethylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2,2,2-trifluoro-

1-(1-tert-Butyl-3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one

CAS: 1315366-32-5

Versatile small molecule scaffold

Formula: C₁₁H₁₅F₃N₂O

Purity: Min. 95%

Molecular weight: 248.24 g/mol

Ref: 3D-QCC36632