1H-Pyrazol-3-amine,1-phenyl- (1128-56-9)

The 1-Phenyl-3-aminopyrazole, with CAS registry number 1128-56-9, is also called 1-Phenyl-1H-pyrazol-3-ylamine. This chemical's molecular formula is C₉H₉N₃ and molecular weight is 159.1879. What's more, both its IUPAC name and systematic name are the same which is called 1-Phenylpyrazol-3-amine.

Physical properties about 1-Phenyl-3-aminopyrazole are: (1) ACD/LogP: 0.83; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.83; (4) ACD/LogD (pH 7.4): 0.83; (5) ACD/BCF (pH 5.5): 2.49; (6) ACD/BCF (pH 7.4): 2.53; (7) ACD/KOC (pH 5.5): 66.6; (8) ACD/KOC (pH 7.4): 67.66; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 21.06 Ų; (13) Index of Refraction: 1.641; (14) Molar Refractivity: 47.84 cm³; (15) Molar Volume: 132.6 cm³; (16) Surface Tension: 50.3 dyne/cm; (17) Density: 1.2 g/cm³; (18) Flash Point: 149.2 °C; (19) Enthalpy of Vaporization: 56.51 kJ/mol; (20) Boiling Point: 323.2 °C at 760 mmHg; (21) Vapour Pressure: 0.000267 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC=C(C=C1)N2C=CC(=N2)N;
(2) InChI: InChI=1S/C9H9N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H2,10,11);
(3) InChIKey: BQQFSUKXGGGGLV-UHFFFAOYSA-N