CAS 956758-73-9

5-(1,1-Dimethylethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid

Description:

5-(1,1-Dimethylethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, with the CAS number 956758-73-9, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of a phenyl group and a tert-butyl substituent enhances its hydrophobic characteristics, potentially influencing its solubility and reactivity. The methyl group further modifies its steric and electronic properties. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal compounds. Its structural features suggest potential interactions with biological targets, although specific biological activities would require empirical investigation. Overall, the unique combination of functional groups and substituents in this compound contributes to its potential utility in various chemical applications.

Formula: C₁₅H₁₈N₂O₂

InChI: InChI=1S/C15H18N2O2/c1-10-12(14(18)19)13(15(2,3)4)17(16-10)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,18,19)

InChI key: InChIKey=RMTSEXGILANBOY-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1N(N=C(C)C1C(O)=O)C2=CC=CC=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 5-(1,1-dimethylethyl)-3-methyl-1-phenyl-
• 5-(1,1-Dimethylethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid