2-Phenyl-5-(trifluoro-meth-yl)pyrazol-3(2H)-one

Area of Science:

• Medicinal Chemistry
• Crystallography
• Organic Chemistry

Background:

• Pyrazolone derivatives are recognized for their diverse pharmacological activities.
• Analgesic and anti-inflammatory agents are crucial in modern medicine.
• Understanding structure-activity relationships is key to drug development.

Purpose of the Study:

• To synthesize and characterize a novel pyrazolone derivative, C(10)H(7)F(3)N(2)O.
• To investigate the crystal structure and intermolecular interactions of the compound.
• To explore its potential as an analgesic and anti-inflammatory agent.

Main Methods:

• Chemical synthesis of the target compound.
• Single-crystal X-ray diffraction analysis.
• Analysis of intermolecular interactions (hydrogen bonding, pi-pi stacking).

Main Results:

• The molecular structure features phenyl and pyrazol-3(2H)-one units with a dihedral angle of 33.0(1)°.
• Crystal structure is stabilized by intermolecular N-H···O hydrogen bonds forming C(5) chains.
• Weak pi-pi stacking interactions between phenyl rings were observed (centroid-centroid distance = 3.881(2) Å).
• Fluorine atoms exhibit disorder over two positions.

Conclusions:

• The synthesized compound possesses a defined crystal structure with specific intermolecular interactions.
• The structural features suggest potential for analgesic and anti-inflammatory properties.
• Further pharmacological evaluation is warranted to confirm therapeutic potential.