CAS 1322605-01-5

Methyl 5-(1,1-dimethylethyl)-1-phenyl-1H-pyrazole-3-carboxylate

Description:

Methyl 5-(1,1-dimethylethyl)-1-phenyl-1H-pyrazole-3-carboxylate is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl ester functional group, contributing to its reactivity and solubility in organic solvents. The presence of a bulky tert-butyl group (1,1-dimethylethyl) enhances its steric properties, potentially influencing its biological activity and interactions. The phenyl group attached to the pyrazole ring can provide aromatic stability and may participate in π-π stacking interactions. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities. Its molecular structure suggests it may exhibit properties such as anti-inflammatory or anti-cancer effects, although specific biological data would be necessary to confirm these activities. Overall, the unique combination of functional groups and structural features makes it a compound of interest for further research and application in synthetic chemistry.

Formula: C₁₅H₁₈N₂O₂

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

InChI key: InChIKey=VCFCBBMQBIPCGL-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1N(N=C(C(OC)=O)C1)C2=CC=CC=C2

Synonyms:

• 1-Phenyl-5-tert-butyl-pyrazol-3-carboxylic acid methyl ester
• Methyl 5-(1,1-dimethylethyl)-1-phenyl-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-1-phenyl-, methyl ester