tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate (230301-11-8)

The tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate, with CAS registry number 230301-11-8, belongs to the following product categorie: Chiral chemicals. Its systematic name and its IUPAC name are the same, which is tert-butyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 1.50; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.22 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 59.333 cm³; (15)Molar Volume: 186.052 cm³; (16)Polarizability: 23.521×10^-24cm³; (17)Surface Tension: 51.291 dyne/cm; (18)Enthalpy of Vaporization: 63.712 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2Cc1cnnc1CC2
(2)InChI: InChI=1/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
(3)InChIKey: BHYPERDTLBCHAE-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
(5)Std. InChIKey: BHYPERDTLBCHAE-UHFFFAOYSA-N