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CAS 142818-03-9

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1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Description:
1-(4-Nitrophenyl)-5-(trifluoromethyl)-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 nitrophenyl group at one position and a trifluoromethyl group at another position contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. The carboxylic acid functional group enhances its solubility in polar solvents and may influence its reactivity in various chemical reactions. This compound is often studied for its potential applications in pharmaceuticals, agrochemicals, and materials science due to its interesting electronic properties and ability to participate in hydrogen bonding. Additionally, the trifluoromethyl group is known to impart significant metabolic stability and can enhance the compound's potency in biological systems. Overall, this compound's structural features make it a subject of interest in synthetic chemistry and drug development.
Formula:C11H6F3N3O4
InChI:InChI=1S/C11H6F3N3O4/c12-11(13,14)9-8(10(18)19)5-15-16(9)6-1-3-7(4-2-6)17(20)21/h1-5H,(H,18,19)
InChI key:InChIKey=FGHNILTUXGDLKS-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(N=CC1C(O)=O)C2=CC=C(N(=O)=O)C=C2
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-
  • 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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