8-[(1-ethyl-1H-pyrazol-3-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione

• ChemBase ID: 339316
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)Cc1nn(cc1)CC
• Canonical SMILES: CCn1ccc(n1)CN1C(=O)CC2(CC1=O)CCCC2
• InChI: InChI=1S/C15H21N3O2/c1-2-17-8-5-12(16-17)11-18-13(19)9-15(10-14(18)20)6-3-4-7-15/h5,8H,2-4,6-7,9-11H2,1H3
• InChIKey: YWDUCTGQYJRJSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1-ethyl-1H-pyrazol-3-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione
• IUPAC Traditional name: 8-[(1-ethylpyrazol-3-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione
• Synonyms: 8-[(1-ethyl-1H-pyrazol-3-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2778251
• LogD (pH = 7.4): 1.2778634
• Log P: 1.2778639
• Molar Refractivity: 85.945 cm^3
• Polarizability: 28.994593 Å^3
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.12
• LOG S: -3.02
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3