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CAS 959578-21-3

:

1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl-

Description:
1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl- is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group at the 4-position of the pyrazole ring, contributing to its acidic properties. The presence of a 2-bromophenyl group at the 1-position introduces significant steric and electronic effects, influencing the compound's reactivity and potential applications. Additionally, the 3,5-dimethyl substituents enhance the hydrophobic character of the molecule, which may affect its solubility and interaction with biological systems. This compound is of interest in medicinal chemistry and material science due to its potential biological activities and utility in synthesizing other complex molecules. Its specific properties, such as melting point, boiling point, and solubility, would typically be determined through experimental methods and may vary based on the conditions of synthesis and purification.
Formula:C12H11BrN2O2
InChI:InChI=1S/C12H11BrN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H,16,17)
InChI key:InChIKey=ACBMQBBYLOEXOT-UHFFFAOYSA-N
SMILES:CC=1N(N=C(C)C1C(O)=O)C2=C(Br)C=CC=C2
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 1-(2-bromophenyl)-3,5-dimethyl-
  • 1-(2-Bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
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