6H-Pyrazolo[3,4-c]pyridine-6-carboxylic acid, 1,4,5,7-tetrahydro-,1,1-dimethylethyl ester

The 1,4,5,7-Tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid tert-butyl ester, with the CAS registry number 871726-73-7, is also known as tert-Butyl 4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate. This chemical's molecular formula is C₁₁H₁₇N₃O₂ and molecular weight is 223.27. What's more, its systematic name is called tert-Butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate.

Physical properties about 1,4,5,7-Tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid tert-butyl ester are: (1)ACD/LogP: 1.691; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.31; (6)ACD/BCF (pH 7.4): 11.36; (7)ACD/KOC (pH 5.5): 197.24; (8)ACD/KOC (pH 7.4): 198.20; (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)Surface Tension: 51.291 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 188.443 °C; (19)Enthalpy of Vaporization: 63.712 kJ/mol; (20)Boiling Point: 387.979 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCc2cn[nH]c2C1
(2) InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13)
(3) InChIKey: XSHYMCSSTAWZOW-UHFFFAOYSA-N