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CAS 1292636-76-0

:

1-(2-Cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid

Description:
1-(2-Cyanoethyl)-5-phenyl-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 cyanoethyl group, which contributes to its reactivity and potential applications in organic synthesis. The presence of a phenyl group enhances its aromatic properties, potentially influencing its solubility and interaction with other molecules. The carboxylic acid functional group is significant for its acidity and ability to form hydrogen bonds, which can affect its behavior in biological systems and chemical reactions. This compound may exhibit various biological activities, making it of interest in medicinal chemistry and drug development. Its structural features suggest potential applications in agrochemicals or as intermediates in the synthesis of more complex molecules. As with many pyrazole derivatives, it may also possess unique electronic properties due to the conjugation within the ring system and the substituents attached to it.
Formula:C13H11N3O2
InChI:InChI=1S/C13H11N3O2/c14-7-4-8-16-12(10-5-2-1-3-6-10)11(9-15-16)13(17)18/h1-3,5-6,9H,4,8H2,(H,17,18)
InChI key:InChIKey=ADCUOAJQCJMPLG-UHFFFAOYSA-N
SMILES:C(CC#N)N1C(=C(C(O)=O)C=N1)C2=CC=CC=C2
Synonyms:
  • 1-(2-Cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-(2-cyanoethyl)-5-phenyl-
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