1H-Pyrazole-4-carboxylicacid, 1,5-diphenyl- (98700-53-9)

The 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid with the CAS number 98700-53-9 is also called 1H-Pyrazole-4-carboxylicacid, 1,5-diphenyl-. Its molecular formula is C₁₆H₁₂N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1,5-Diphenyl-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.85; (8)ACD/KOC (pH 7.4): 1.87; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 77.35 cm³; (15)Molar Volume: 214.7 cm³; (16)Polarizability: 30.66×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Enthalpy of Vaporization: 74.87 kJ/mol; (19)Vapour Pressure: 6.17×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cnn(c1ccccc1)c2c3ccccc3
(2)InChI: InChI=1/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
(3)InChIKey: XFYHUVOWHZCRFB-UHFFFAOYAO