N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 686822
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCCc1c([nH]nc1C)C)C)C
• Canonical SMILES: O=C(CC1C(=O)N(C(=O)N1C)C)NCCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C15H23N5O3/c1-9-11(10(2)18-17-9)6-5-7-16-13(21)8-12-14(22)20(4)15(23)19(12)3/h12H,5-8H2,1-4H3,(H,16,21)(H,17,18)
• InChIKey: BDGUGPDYDBDOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.152579
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5698091
• LogD (pH = 7.4): -0.5664077
• Log P: -0.5663641
• Molar Refractivity: 85.4849 cm^3
• Polarizability: 32.059875 Å^3
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.95
• LOG S: -2.04
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 6