N,1-dimethyl-N-(2-methylpropyl)-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 640664
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(c2c(n(n1)C)CCC(C2)N(CC(C)C)C)C(=O)N1CCCCC1
• Canonical SMILES: CC(CN(C1CCc2c(C1)c(nn2C)C(=O)N1CCCCC1)C)C
• InChI: InChI=1S/C19H32N4O/c1-14(2)13-21(3)15-8-9-17-16(12-15)18(20-22(17)4)19(24)23-10-6-5-7-11-23/h14-15H,5-13H2,1-4H3
• InChIKey: NLNOUYJSAQIDRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-N-(2-methylpropyl)-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N,1-dimethyl-N-(2-methylpropyl)-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-isobutyl-N,1-dimethyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.70460486
• LogD (pH = 7.4): 0.43995535
• Log P: 2.7179937
• Molar Refractivity: 110.2574 cm^3
• Polarizability: 37.431587 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: 1.83
• LOG S: -3.66
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3