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CAS 113808-87-0

:

1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

Description:
1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid, with the CAS number 113808-87-0, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a 4-chlorophenyl group, contributing to its aromatic properties and potential biological activity. The presence of two methyl groups at the 3 and 5 positions of the pyrazole ring enhances its lipophilicity, which may influence its solubility and interaction with biological systems. The carboxylic acid functional group at the 4 position is significant for its acidity and potential reactivity, making it a candidate for various chemical reactions, including esterification and amidation. This compound may exhibit pharmacological properties, and its structural features suggest potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals. Overall, its unique structure and functional groups make it a compound of interest in both research and industrial applications.
Formula:C12H11ClN2O2
InChI:InChI=1S/C12H11ClN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17)
InChI key:InChIKey=LMIAUFPOUMFDJB-UHFFFAOYSA-N
SMILES:CC=1N(N=C(C)C1C(O)=O)C2=CC=C(Cl)C=C2
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-3,5-dimethyl-
  • 1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
  • 1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazolecarboxylic acid
  • 1-(4-Chlorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
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