N,N-dimethyl-1-(2-methylpropyl)-5-(piperidin-1-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 654409
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(c2c(n(n1)CC(C)C)CCC(C2)N1CCCCC1)C(=O)N(C)C
• Canonical SMILES: CC(Cn1nc(c2c1CCC(C2)N1CCCCC1)C(=O)N(C)C)C
• InChI: InChI=1S/C19H32N4O/c1-14(2)13-23-17-9-8-15(22-10-6-5-7-11-22)12-16(17)18(20-23)19(24)21(3)4/h14-15H,5-13H2,1-4H3
• InChIKey: SXTCDGUGZSIZAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-(2-methylpropyl)-5-(piperidin-1-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-1-(2-methylpropyl)-5-(piperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-isobutyl-N,N-dimethyl-5-(1-piperidinyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.28278926
• LogD (pH = 7.4): 1.4323863
• Log P: 2.7179937
• Molar Refractivity: 110.2574 cm^3
• Polarizability: 37.431416 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.93
• LOG S: -3.56
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3