1H-Pyrazole,1-(1-methylethyl)- (18952-87-9)

The 1-Isopropylpyrazole, with the CAS registry number 18952-87-9, has the systematic name of 1-(propan-2-yl)-1H-pyrazole. It belongs to the category of API intermediates. And the molecular formula of the chemical is C₆H₁₀N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 88; (8)ACD/KOC (pH 7.4): 88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 34.283 cm³; (15)Molar Volume: 113.997 cm³; (16)Polarizability: 13.591×10^-24cm³; (17)Surface Tension: 31.493 dyne/cm; (18)Density: 0.966 g/cm³; (19)Flash Point: 42.828 °C; (20)Enthalpy of Vaporization: 36.445 kJ/mol; (21)Boiling Point: 142.999 °C at 760 mmHg; (22)Vapour Pressure: 6.833 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)n1cccn1
(2)InChI: InChI=1/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3
(3)InChIKey: ANMVTDVBEDVFRB-UHFFFAOYAE