CAS 477712-31-5

1-(3-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Description:

1-(3-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, identified by its CAS number 477712-31-5, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features two chlorophenyl substituents, which enhance its lipophilicity and may influence its biological activity. The presence of the carboxylic acid functional group contributes to its acidity and potential for forming hydrogen bonds, which can affect solubility and reactivity. The chlorinated phenyl groups may also impart specific electronic properties, making the compound of interest in medicinal chemistry and agrochemical applications. Its structural characteristics suggest potential interactions with biological targets, making it a candidate for further research in pharmacology or as a pesticide. Overall, the compound's unique structure and functional groups contribute to its chemical behavior and potential applications in various fields.

Formula: C₁₆H₉Cl₃N₂O₂

InChI: InChI=1S/C16H9Cl3N2O2/c17-10-2-1-3-11(7-10)21-15(8-14(20-21)16(22)23)9-4-5-12(18)13(19)6-9/h1-8H,(H,22,23)

InChI key: InChIKey=FLKAZVJYCZPURB-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C(N(N1)C2=CC(Cl)=CC=C2)C3=CC(Cl)=C(Cl)C=C3

Synonyms:

• 1-(3-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-(3-chlorophenyl)-5-(3,4-dichlorophenyl)-

1-(3-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Controlled Product

CAS: 477712-31-5

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Formula: C₁₆H₉Cl₃N₂O₂

Purity: Min. 95%

Molecular weight: 367.6 g/mol

Ref: 3D-CUA71231