1H-Pyrazole,1-ethyl-3,5-dimethyl- (17629-26-4)

The 1-Ethyl-3,5-dimethyl-1H-pyrazole is an organic compound with the formula C₇H₁₂N₂. The systematic name of this chemical is 1-ethyl-3,5-dimethyl-1H-pyrazole. With the CAS registry number 17629-26-4, it is also named as Pyrazole, 1-ethyl-3,5-dimethyl-.

Physical properties about 1-Ethyl-3,5-dimethyl-1H-pyrazole are: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 9.91; (5)ACD/BCF (pH 7.4): 10; (6)ACD/KOC (pH 5.5): 179.26; (7)ACD/KOC (pH 7.4): 180.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 38.7 cm³; (13)Molar Volume: 129.3 cm³; (14)Polarizability: 15.34×10^-24cm³; (15)Surface Tension: 29.3 dyne/cm; (16)Density: 0.96 g/cm³; (17)Flash Point: 62.2 °C; (18)Enthalpy of Vaporization: 39.85 kJ/mol; (19)Boiling Point: 179.3 °C at 760 mmHg; (20)Vapour Pressure: 1.28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(n1CC)C)C
(2)InChI: InChI=1/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
(3)InChIKey: WBTANXHOAUWNIK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
(5)Std. InChIKey: WBTANXHOAUWNIK-UHFFFAOYSA-N