3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid (872407-85-7)

The cas register number of 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid is 872407-85-7. The Systematic name about this chemical is 3-(5-amino-3-methyl-pyrazol-1-yl)benzoic acid. The Molecular Formula about this chemical is C₁₁H₁₁N₃O₂.

Physical properties about 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid are: (1)ACD/LogP: 0.97; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 81.14Ų; (6)Index of Refraction: 1.66; (7)Molar Refractivity: 58.58 cm³; (8)Molar Volume: 158.6 cm³; (9)Polarizability: 23.22x10^-24cm³; (10)Surface Tension: 56.1 dyne/cm; (11)Flash Point: 238.1 °C; (12)Enthalpy of Vaporization: 77.18 kJ/mol; (13)Boiling Point: 470.1 °C at 760 mmHg; (14)Vapour Pressure: 1.22E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc(c1)n2nc(C)cc2N
(2)InChI: InChI=1/C11H11N3O2/c1-7-5-10(12)14(13-7)9-4-2-3-8(6-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(3)InChIKey: WYIPQANVZXIEJJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H11N3O2/c1-7-5-10(12)14(13-7)9-4-2-3-8(6-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(5)Std. InChIKey: WYIPQANVZXIEJJ-UHFFFAOYSA-N