CAS 1245808-55-2

1-[2-(Dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Description:

1-[2-(Dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a carboxylic acid functional group, and a trifluoromethyl group. The presence of the dimethylamino group suggests potential basicity and reactivity, while the trifluoromethyl group can enhance lipophilicity and influence the compound's biological activity. This compound is likely to exhibit polar characteristics due to the carboxylic acid, which can participate in hydrogen bonding. Its unique combination of functional groups may contribute to its potential applications in pharmaceuticals or agrochemicals, particularly in the development of compounds with specific biological activities. The CAS number 1245808-55-2 allows for precise identification and retrieval of information regarding this substance in chemical databases. Overall, the compound's structural features suggest it may possess interesting chemical reactivity and biological properties, warranting further investigation in relevant fields.

Formula: C₉H₁₀F₃N₃O₃

InChI: InChI=1S/C9H10F3N3O3/c1-14(2)7(16)4-15-5(8(17)18)3-6(13-15)9(10,11)12/h3H,4H2,1-2H3,(H,17,18)

InChI key: InChIKey=AQLXGWRXASLIQL-UHFFFAOYSA-N

SMILES: C(C(N(C)C)=O)N1C(C(O)=O)=CC(C(F)(F)F)=N1

Synonyms:

• 2-[2-(Dimethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid
• 1-[2-(Dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• 1H-Pyrazole-5-carboxylic acid, 1-[2-(dimethylamino)-2-oxoethyl]-3-(trifluoromethyl)-

1-[(Dimethylcarbamoyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

CAS: 1245808-55-2

Versatile small molecule scaffold

Formula: C₉H₁₀F₃N₃O₃

Purity: Min. 95%

Molecular weight: 265.19 g/mol

Ref: 3D-VZB80855