5-{1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-4-yl}-5-ethylimidazolidine-2,4-dione

• ChemBase ID: 444278
• Molecular Formular: C17H25N5O3
• Molecular Mass: 347.4121
• Monoisotopic Mass: 347.19573969
• SMILES: N1C(=O)C(NC1=O)(C1CCN(C(=O)Cc2c([nH]nc2C)C)CC1)CC
• Canonical SMILES: CCC1(NC(=O)NC1=O)C1CCN(CC1)C(=O)Cc1c(C)n[nH]c1C
• InChI: InChI=1S/C17H25N5O3/c1-4-17(15(24)18-16(25)19-17)12-5-7-22(8-6-12)14(23)9-13-10(2)20-21-11(13)3/h12H,4-9H2,1-3H3,(H,20,21)(H2,18,19,24,25)
• InChIKey: FONSAMULSJYZEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-4-yl}-5-ethylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-4-yl}-5-ethylimidazolidine-2,4-dione
• Synonyms: 5-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-4-yl}-5-ethylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.156653
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.10230733
• LogD (pH = 7.4): -0.10000949
• Log P: -0.09921938
• Molar Refractivity: 92.7195 cm^3
• Polarizability: 35.00397 Å^3
• Polar Surface Area: 107.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.69
• LOG S: -2.32
• Polar Surface Area: 107.19 Å^2
• Rotatable Bonds: 4