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CAS 93045-47-7

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3-tert-butyl-1-phenyl-1H-pyrazole-5-carboxylic acid

Description:
3-tert-butyl-1-phenyl-1H-pyrazole-5-carboxylic acid is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a tert-butyl group and a phenyl group, contributing to its hydrophobic characteristics and potential for various interactions in biological systems. The carboxylic acid functional group (-COOH) imparts acidic properties, allowing it to participate in acid-base reactions and potentially form salts or esters. The presence of the phenyl group enhances its stability and may influence its solubility in organic solvents. This compound is of interest in medicinal chemistry and material science due to its potential biological activity and utility in synthesizing other complex molecules. Its CAS number, 93045-47-7, is a unique identifier that facilitates its identification in chemical databases and literature. Overall, 3-tert-butyl-1-phenyl-1H-pyrazole-5-carboxylic acid exhibits a combination of structural features that make it a subject of interest for further research and application.
Formula:C14H16N2O2
InChI:InChI=1/C14H16N2O2/c1-14(2,3)12-9-11(13(17)18)16(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
SMILES:CC(C)(C)c1cc(C(=O)O)n(c2ccccc2)n1
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