1H-Pyrazole-3-carboxylicacid, 4-amino-1-phenyl- (64299-26-9)

The 4-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid with the cas number 64299-26-9 is also called 1H-Pyrazole-3-carboxylicacid, 4-amino-1-phenyl-. The systematic name is 4-amino-1-phenyl-pyrazole-3-carboxylic acid. Its molecular formula is C₁₀H₉N₃O₂. The product category is AMINOACID.

The properties of the chemical are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.428; (4)ACD/BCF (pH 5.5): 3.907; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 44.999; (7)ACD/KOC (pH 7.4): 1.09; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 81.14 Å²; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 54.159 cm³; (14)Molar Volume: 143.413 cm³; (15)Polarizability: 21.47×10^-24cm³; (16)Surface Tension: 62.499 dyne/cm; (17)Enthalpy of Vaporization: 70.484 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)n2cc(c(n2)C(=O)O)N
(2)InChI: InChI=1/C10H9N3O2/c11-8-6-13(12-9(8)10(14)15)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
(3)InChIKey: YAAFWVJWMRAZOW-UHFFFAOYAO