1-(4-tert-butylphenyl)-N-(1-ethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 522808
• Molecular Formular: C24H36N4
• Molecular Mass: 380.56944
• Monoisotopic Mass: 380.29399717
• SMILES: c12c(n(nc1)c1ccc(C(C)(C)C)cc1)CCCC2NC1CCN(CC1)CC
• Canonical SMILES: CCN1CCC(CC1)NC1CCCc2c1cnn2c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C24H36N4/c1-5-27-15-13-19(14-16-27)26-22-7-6-8-23-21(22)17-25-28(23)20-11-9-18(10-12-20)24(2,3)4/h9-12,17,19,22,26H,5-8,13-16H2,1-4H3
• InChIKey: BZKZGBGIFYMHEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-tert-butylphenyl)-N-(1-ethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: 1-(4-tert-butylphenyl)-N-(1-ethylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: 1-(4-tert-butylphenyl)-N-(1-ethyl-4-piperidinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8600669
• LogD (pH = 7.4): 1.6415442
• Log P: 4.29897
• Molar Refractivity: 118.7466 cm^3
• Polarizability: 46.52865 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.72
• LOG S: -4.72
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4