7-cyclopentyl-2-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 624835
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: c1(C(=O)N2CC3(C(=O)N(C4CCCC4)CCC3)CC2)c(nn(c1)C)C
• Canonical SMILES: Cn1nc(c(c1)C(=O)N1CCC2(C1)CCCN(C2=O)C1CCCC1)C
• InChI: InChI=1S/C19H28N4O2/c1-14-16(12-21(2)20-14)17(24)22-11-9-19(13-22)8-5-10-23(18(19)25)15-6-3-4-7-15/h12,15H,3-11,13H2,1-2H3
• InChIKey: SGCZHIKEGFOBPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(1,3-dimethylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.136933
• LogD (pH = 7.4): 1.1370776
• Log P: 1.1370794
• Molar Refractivity: 107.4508 cm^3
• Polarizability: 36.484238 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 0.83
• LOG S: -2.42
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3