CAS 1001665-66-2

5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid

Description:

5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid is a heterocyclic organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features an amino group (-NH2), a cyano group (-C≡N), and a carboxylic acid group (-COOH), contributing to its reactivity and potential biological activity. The presence of a 4-fluorophenyl substituent enhances its lipophilicity and may influence its interaction with biological targets. The compound is typically crystalline and may exhibit solubility in polar solvents due to the presence of functional groups. Its unique structure suggests potential applications in pharmaceuticals, particularly in the development of anti-inflammatory or anti-cancer agents, as pyrazole derivatives are known for their diverse biological activities. Additionally, the compound's properties can be influenced by factors such as pH and temperature, which may affect its stability and reactivity in various chemical environments.

Formula: C₁₁H₇FN₄O₂

InChI: InChI=1S/C11H7FN4O2/c12-6-1-3-7(4-2-6)16-10(14)8(5-13)9(15-16)11(17)18/h1-4H,14H2,(H,17,18)

InChI key: InChIKey=HLQYBFQZQCAZDZ-UHFFFAOYSA-N

SMILES: NC=1N(N=C(C(O)=O)C1C#N)C2=CC=C(F)C=C2

Synonyms:

• 5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(4-fluorophenyl)-