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

• ChemBase ID: 361684
• Molecular Formular: C13H19N5O3
• Molecular Mass: 293.32166
• Monoisotopic Mass: 293.14878949
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCCc1c([nH]nc1C)C
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C13H19N5O3/c1-7-9(8(2)18-17-7)4-3-5-14-11(19)6-10-12(20)16-13(21)15-10/h10H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)
• InChIKey: ARBJCUCRJPWIFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.623381
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.0171934
• LogD (pH = 7.4): -1.016319
• Log P: -1.0137162
• Molar Refractivity: 75.6915 cm^3
• Polarizability: 28.407743 Å^3
• Polar Surface Area: 115.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: -0.94
• LOG S: -1.85
• Polar Surface Area: 115.98 Å^2
• Rotatable Bonds: 6