N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 833499
• Molecular Formular: C13H19N5O3
• Molecular Mass: 293.32166
• Monoisotopic Mass: 293.14878949
• SMILES: c1(c(cnn1CCCC)C)NC(=O)CC1C(=O)NC(=O)N1
• Canonical SMILES: Cc1cnn(c1NC(=O)CC1NC(=O)NC1=O)CCCC
• InChI: InChI=1S/C13H19N5O3/c1-3-4-5-18-11(8(2)7-14-18)16-10(19)6-9-12(20)17-13(21)15-9/h7,9H,3-6H2,1-2H3,(H,16,19)(H2,15,17,20,21)
• InChIKey: HPVOEGJKDUWJRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-(2-butyl-4-methylpyrazol-3-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.626744
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.26540646
• LogD (pH = 7.4): 0.26296484
• Log P: 0.26550522
• Molar Refractivity: 86.9242 cm^3
• Polarizability: 28.40134 Å^3
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.66
• LOG S: -2.08
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 6