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CAS 100957-85-5

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1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

Description:
1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a benzyl group and a tert-butyl group, contributing to its hydrophobic properties and steric bulk. The carboxylic acid functional group provides acidic characteristics, allowing for potential interactions in various chemical environments. It is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. The presence of the benzyl and tert-butyl substituents can influence the compound's solubility, reactivity, and biological activity. Additionally, the compound's structure suggests potential for hydrogen bonding due to the carboxylic acid group, which may enhance its interactions in biological systems. Overall, 1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid is notable for its unique structural features and potential applications in medicinal chemistry.
Formula:C15H18N2O2
InChI:InChI=1/C15H18N2O2/c1-15(2,3)13-9-12(14(18)19)17(16-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,19)
InChI key:IJXYLILRNVOJNF-UHFFFAOYSA-N
SMILES:CC(C)(C)c1cc(C(=O)O)n(Cc2ccccc2)n1
Synonyms:
  • Buttpark 153\57-04
  • 1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid, 95+%
Found 3 products.