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CAS 956453-12-6

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3-(4-Methylphenyl)-1-(phenylmethyl)-1H-pyrazole-4-carboxylic acid

Description:
3-(4-Methylphenyl)-1-(phenylmethyl)-1H-pyrazole-4-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 carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of the 4-methylphenyl and phenylmethyl substituents enhances its lipophilicity, which may influence its solubility and biological activity. The structural arrangement suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the pyrazole moiety's known biological properties. Additionally, the compound may exhibit specific interactions with biological targets, making it of interest for further research in drug design. Its CAS number, 956453-12-6, allows for easy identification and retrieval of information regarding its properties, synthesis, and potential applications in scientific literature and databases. Overall, this compound exemplifies the complexity and diversity of organic molecules used in various chemical and biological contexts.
Formula:C18H16N2O2
InChI:InChI=1S/C18H16N2O2/c1-13-7-9-15(10-8-13)17-16(18(21)22)12-20(19-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,22)
InChI key:InChIKey=LPXNEXTXAIVFDK-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(=NN(CC2=CC=CC=C2)C1)C3=CC=C(C)C=C3
Synonyms:
  • 3-(4-Methylphenyl)-1-(phenylmethyl)-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 3-(4-methylphenyl)-1-(phenylmethyl)-
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