N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-(2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 481384
• Molecular Formular: C17H17F2N5O3
• Molecular Mass: 377.3453864
• Monoisotopic Mass: 377.12994587
• SMILES: n1(c(c(cn1)C(NC(=O)CN1C(=O)NC(=O)C1)C)C)c1c(cc(cc1)F)F
• Canonical SMILES: O=C(NC(c1cnn(c1C)c1ccc(cc1F)F)C)CN1CC(=O)NC1=O
• InChI: InChI=1S/C17H17F2N5O3/c1-9(21-15(25)7-23-8-16(26)22-17(23)27)12-6-20-24(10(12)2)14-4-3-11(18)5-13(14)19/h3-6,9H,7-8H2,1-2H3,(H,21,25)(H,22,26,27)
• InChIKey: FQOFEYVVFYRVAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-{1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl}-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-(2,4-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617233
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.37988278
• LogD (pH = 7.4): 0.3774078
• Log P: 0.3800042
• Molar Refractivity: 91.7219 cm^3
• Polarizability: 34.496605 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.8
• LOG S: -2.63
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5