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

• ChemBase ID: 575807
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCc1c(n(nc1C)CC)C
• Canonical SMILES: CCn1nc(c(c1C)CCNC(=O)CCC1NC(=O)NC1=O)C
• InChI: InChI=1S/C15H23N5O3/c1-4-20-10(3)11(9(2)19-20)7-8-16-13(21)6-5-12-14(22)18-15(23)17-12/h12H,4-8H2,1-3H3,(H,16,21)(H2,17,18,22,23)
• InChIKey: ANBFHSDRZPHXKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.633545
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.69150686
• LogD (pH = 7.4): -0.69166934
• Log P: -0.68913966
• Molar Refractivity: 95.8101 cm^3
• Polarizability: 31.982893 Å^3
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.83
• LOG S: -2.15
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7