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CAS 126067-60-5

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5-Methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

Description:
5-Methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-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 methyl group at the 5-position and a trifluoromethyl-substituted phenyl group at the 1-position contributes to its unique properties, including increased lipophilicity and potential biological activity. The carboxylic acid functional group at the 3-position enhances its acidity and solubility in polar solvents. This compound is of interest in medicinal chemistry and agrochemicals due to its potential applications in pharmaceuticals and crop protection agents. Its trifluoromethyl group is known to influence the compound's electronic properties, stability, and interaction with biological targets. Additionally, the presence of multiple functional groups allows for diverse reactivity and potential derivatization, making it a valuable scaffold in drug design and development. Overall, this compound exemplifies the complexity and versatility of modern organic molecules in chemical research.
Formula:C12H9F3N2O2
InChI:InChI=1S/C12H9F3N2O2/c1-7-5-10(11(18)19)16-17(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,18,19)
InChI key:InChIKey=QMDOPJDETJJZEG-UHFFFAOYSA-N
SMILES:CC=1N(N=C(C(O)=O)C1)C2=CC(C(F)(F)F)=CC=C2
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-[3-(trifluoromethyl)phenyl]-
  • 5-Methyl-1-[3-(Trifluoromethyl)Phenyl]Pyrazole-3-Carboxylic Acid
  • 5-Methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
  • 5-Methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
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