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CAS 116344-18-4

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5-(1-Methylethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

Description:
5-(1-Methylethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid, with the CAS number 116344-18-4, 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 a phenyl group and an isopropyl substituent enhances its hydrophobic characteristics, which may influence its solubility and interaction with biological systems. The structural arrangement suggests potential applications in pharmaceuticals, particularly in the development of anti-inflammatory or analgesic agents, due to the biological activity often associated with pyrazole derivatives. Additionally, the compound's unique structure may allow for specific interactions with biological targets, making it a subject of interest in medicinal chemistry. Its stability, reactivity, and potential for forming derivatives are also important characteristics that can be explored in various chemical and biological contexts.
Formula:C13H14N2O2
InChI:InChI=1S/C13H14N2O2/c1-9(2)12-11(13(16)17)8-14-15(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChI key:InChIKey=MQUOHNQYSXJILW-UHFFFAOYSA-N
SMILES:C(C)(C)C=1N(N=CC1C(O)=O)C2=CC=CC=C2
Synonyms:
  • 1-phenyl-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 5-(1-methylethyl)-1-phenyl-
  • 5-(1-Methylethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
  • 5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid
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