N,1-dimethyl-5-[(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 519065
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCC(C)C)C(=O)NC
• Canonical SMILES: CNC(=O)c1nn(c2c1CC(NCC(C)C)CC2)C
• InChI: InChI=1S/C14H24N4O/c1-9(2)8-16-10-5-6-12-11(7-10)13(14(19)15-3)17-18(12)4/h9-10,16H,5-8H2,1-4H3,(H,15,19)
• InChIKey: JFAGZWMFNJJBOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-5-[(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N,1-dimethyl-5-[(2-methylpropyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 5-(isobutylamino)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.193255
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9598933
• LogD (pH = 7.4): -1.2847866
• Log P: 1.2609037
• Molar Refractivity: 87.924 cm^3
• Polarizability: 28.957163 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.01
• LOG S: -2.97
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 3