6,6-dimethyl-1-phenyl-N-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 586494
• Molecular Formular: C18H25N3
• Molecular Mass: 283.4112
• Monoisotopic Mass: 283.20484782
• SMILES: c12c(n(nc2)c2ccccc2)CC(CC1NC(C)C)(C)C
• Canonical SMILES: CC(NC1CC(C)(C)Cc2c1cnn2c1ccccc1)C
• InChI: InChI=1S/C18H25N3/c1-13(2)20-16-10-18(3,4)11-17-15(16)12-19-21(17)14-8-6-5-7-9-14/h5-9,12-13,16,20H,10-11H2,1-4H3
• InChIKey: BHENPMXDWXVPJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-dimethyl-1-phenyl-N-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-isopropyl-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
• Synonyms: N-isopropyl-6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5595415
• LogD (pH = 7.4): 1.6636661
• Log P: 3.730749
• Molar Refractivity: 88.0721 cm^3
• Polarizability: 34.75555 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.18
• LOG S: -4.16
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2