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CAS 1375471-47-8

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1-[(3-Bromophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid

Description:
1-[(3-Bromophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a bromophenyl group indicates that a bromine atom is substituted on a phenyl ring, contributing to the compound's potential reactivity and biological activity. The carboxylic acid functional group (-COOH) suggests that this compound can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The methyl group at the 3-position of the pyrazole ring adds to the compound's hydrophobic character. This compound may be of interest in medicinal chemistry due to its structural features, which could influence its pharmacological properties. Additionally, the presence of halogen atoms, such as bromine, often enhances the lipophilicity and biological activity of organic compounds. Overall, this compound's unique structure may lead to various applications in research and development, particularly in the fields of pharmaceuticals and agrochemicals.
Formula:C12H11BrN2O2
InChI:InChI=1S/C12H11BrN2O2/c1-8-11(12(16)17)7-15(14-8)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,16,17)
InChI key:InChIKey=PWPWINWBAFILCG-UHFFFAOYSA-N
SMILES:C(N1C=C(C(O)=O)C(C)=N1)C2=CC(Br)=CC=C2
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 1-[(3-bromophenyl)methyl]-3-methyl-
  • 1-[(3-Bromophenyl)methyl]-3-methyl-1H-pyrazole-4-carboxylic acid
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