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

• ChemBase ID: 397974
• Molecular Formular: C13H19N5O3
• Molecular Mass: 293.32166
• Monoisotopic Mass: 293.14878949
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(CCCc1cn(nc1)C)C
• Canonical SMILES: Cn1ncc(c1)CCCN(C(=O)CN1C(=O)CNC1=O)C
• InChI: InChI=1S/C13H19N5O3/c1-16(5-3-4-10-6-15-17(2)8-10)12(20)9-18-11(19)7-14-13(18)21/h6,8H,3-5,7,9H2,1-2H3,(H,14,21)
• InChIKey: NYFGDSZCAZMDLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.976607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2226926
• LogD (pH = 7.4): -1.2226012
• Log P: -1.2225885
• Molar Refractivity: 86.515 cm^3
• Polarizability: 28.48144 Å^3
• Polar Surface Area: 87.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.54
• LOG S: -1.33
• Polar Surface Area: 87.54 Å^2
• Rotatable Bonds: 6