CAS 1017781-23-5: 5-[4-(Methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

Description: 5-[4-(Methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring substituted with various functional groups. The presence of a methylthio group and a trifluoromethyl group indicates that this compound may exhibit unique electronic and steric properties, potentially influencing its reactivity and interactions with biological targets. The carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. This compound is likely to be of interest in medicinal chemistry due to its potential biological activity, possibly as an anti-inflammatory or analgesic agent, although specific biological data would be required to confirm such properties. Its molecular structure contributes to its solubility and stability in various solvents, which is crucial for its application in research and development. Overall, the compound's unique substituents and functional groups make it a candidate for further investigation in pharmaceutical applications.

Formula: C₁₈H₁₃F₃N₂O₂S

InChI: InChI=1S/C18H13F3N2O2S/c1-26-14-8-2-11(3-9-14)16-10-15(17(24)25)22-23(16)13-6-4-12(5-7-13)18(19,20)21/h2-10H,1H3,(H,24,25)

InChI key: InChIKey=HNIGAKORFNKDPO-UHFFFAOYSA-N

SMILES: O=C(O)C1=NN(C2=CC=C(C=C2)C(F)(F)F)C(=C1)C=3C=CC(SC)=CC3

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 5-[4-(methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-
• 5-[4-(Methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

1H-Pyrazole-3-carboxylic acid, 5-[4-(methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-

CAS: 1017781-23-5

• Formula: C₁₈H₁₃F₃N₂O₂S
• Molecular weight: 378.3682

5-[4-(Methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS: 1017781-23-5

• Molecular weight: 378.36823g/mol

5-(4-(Methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1017781-23-5

• Purity: 95.0%
• Molecular weight: 378.3699951171875

5-(4-Methylsulfanyl-phenyl)-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1017781-23-5

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• Formula: C₁₈H₁₃F₃N₂O₂S
• Purity: Min. 95%
• Molecular weight: 378.37 g/mol