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

• ChemBase ID: 618425
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: n1(nc(c(c1C)CC)C)CCNC(=O)CCC1C(=O)NC(=O)N1
• Canonical SMILES: CCc1c(C)nn(c1C)CCNC(=O)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C15H23N5O3/c1-4-11-9(2)19-20(10(11)3)8-7-16-13(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: GJVWBUDPHKINET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.634358
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.30193603
• LogD (pH = 7.4): -0.30189854
• Log P: -0.299371
• Molar Refractivity: 95.4251 cm^3
• Polarizability: 31.986578 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: -0.24
• LOG S: -2.65
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7