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

• ChemBase ID: 705881
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: c12c(nn(c1CCC(C2)N1CCC(CC1)C)C)C(=O)NC
• Canonical SMILES: CNC(=O)c1nn(c2c1CC(CC2)N1CCC(CC1)C)C
• InChI: InChI=1S/C16H26N4O/c1-11-6-8-20(9-7-11)12-4-5-14-13(10-12)15(16(21)17-2)18-19(14)3/h11-12H,4-10H2,1-3H3,(H,17,21)
• InChIKey: ZNAYTMJHDWUHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.19304
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5837945
• LogD (pH = 7.4): 0.07159053
• Log P: 1.5370337
• Molar Refractivity: 96.1651 cm^3
• Polarizability: 31.910658 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -3.65
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2