N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-methylacetamide

• ChemBase ID: 621186
• Molecular Formular: C14H21N5O3
• Molecular Mass: 307.34824
• Monoisotopic Mass: 307.16443956
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N(Cc1c(n(nc1)C)C)C
• Canonical SMILES: O=C(N(Cc1cnn(c1C)C)C)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C14H21N5O3/c1-9-10(6-15-18(9)5)7-17(4)11(20)8-19-13(22)16-12(21)14(19,2)3/h6H,7-8H2,1-5H3,(H,16,21,22)
• InChIKey: ZURPNIJAWTXRIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-methylacetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.75497544
• LogD (pH = 7.4): -0.7555023
• Log P: -0.75472695
• Molar Refractivity: 91.5159 cm^3
• Polarizability: 30.230558 Å^3
• Polar Surface Area: 87.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.67
• LOG S: -2.18
• Polar Surface Area: 87.54 Å^2
• Rotatable Bonds: 4