5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid

• Catalog: OFC543739840-1
• CAS: 543739-84-0
• Category: Fluorinated Carboxylic Acid
• Purity: 97%
• MDL Number: MFCD04125015

• Molecular Formula: C5H3F3N2O2
• Molecular Weight: 180.08
• Molar Refractivity: 30.55

• Bioavailability Score: 0.56
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 1.0
• MLogP: 0.43
• SILICOS-IT: 1.47
• WLogP: 2.28
• XLogP3: 0.66
• iLogP: 0.18
• BBB Permeant: Yes
• CYP1A2 Inhibitor: No
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -6.93 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.2

• GHS Pictogram: GHS06
• Hazard Statements: H301
• Packing Group: Ⅲ
• Precautionary Statements: P264-P270-P301+P310-P321-P330-P405-P501