8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 715164
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1(c(n(nc1)C)C)CN1CCC2(CN(C(=O)C2)C)CC1
• Canonical SMILES: O=C1CC2(CN1C)CCN(CC2)Cc1cnn(c1C)C
• InChI: InChI=1S/C15H24N4O/c1-12-13(9-16-18(12)3)10-19-6-4-15(5-7-19)8-14(20)17(2)11-15/h9H,4-8,10-11H2,1-3H3
• InChIKey: ONXPMIYPMSDEBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.8650723
• LogD (pH = 7.4): -1.1083356
• Log P: -0.017961359
• Molar Refractivity: 91.2149 cm^3
• Polarizability: 30.351416 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.13
• LOG S: -2.64
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2