1,5-Diphenyl-1H-pyrazole-3-carboxylic acid

The 1,5-Diphenyl-1H-pyrazole-3-carboxylic acid is an organic compound with the formula C₁₆H₁₂N₂O₂. The IUPAC name of this chemical is 1,5-diphenylpyrazole-3-carboxylic acid. With the CAS registry number 13599-22-9, it is also named as 1H-pyrazole-3-carboxylic acid, 1,5-diphenyl-.

Physical properties about 1,5-Diphenyl-1H-pyrazole-3-carboxylic acid are: (1)ACD/LogP: 4.13; (2)ACD/LogD (pH 5.5): 2.3; (3)ACD/LogD (pH 7.4): 0.93; (4)ACD/BCF (pH 5.5): 13.34; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 76.26; (7)ACD/KOC (pH 7.4): 3.28; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.12 Å²; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 77.35 cm³; (14)Molar Volume: 214.7 cm³; (15)Polarizability: 30.66×10^-24cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.23 g/cm³; (18)Flash Point: 253.9 °C; (19)Enthalpy of Vaporization: 80.45 kJ/mol; (20)Boiling Point: 496.2 °C at 760 mmHg; (21)Vapour Pressure: 1.16E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid N'-phenyl-hydrazide and 5-phenyl-furan-2,3-dione. This reaction will need solvent benzene by heating. The yield is about 51%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nn(c1ccccc1)c(c2)c3ccccc3
(2)InChI: InChI=1/C16H12N2O2/c19-16(20)14-11-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13/h1-11H,(H,19,20)
(3)InChIKey: JJMZLVASVSISLC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C16H12N2O2/c19-16(20)14-11-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13/h1-11H,(H,19,20)
(5)Std. InChIKey: JJMZLVASVSISLC-UHFFFAOYSA-N