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

• ChemBase ID: 315809
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: c1(n(ncc1C)C(CC)CC)NC(=O)CCC1C(=O)NC(=O)N1
• Canonical SMILES: CCC(n1ncc(c1NC(=O)CCC1NC(=O)NC1=O)C)CC
• InChI: InChI=1S/C15H23N5O3/c1-4-10(5-2)20-13(9(3)8-16-20)18-12(21)7-6-11-14(22)19-15(23)17-11/h8,10-11H,4-7H2,1-3H3,(H,18,21)(H2,17,19,22,23)
• InChIKey: FQSRIXDHTQRZLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[4-methyl-1-(pentan-3-yl)-1H-pyrazol-5-yl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[4-methyl-2-(pentan-3-yl)pyrazol-3-yl]propanamide
• Synonyms: 3-(2,5-dioxoimidazolidin-4-yl)-N-[1-(1-ethylpropyl)-4-methyl-1H-pyrazol-5-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.635589
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0486012
• LogD (pH = 7.4): 1.0462059
• Log P: 1.0486952
• Molar Refractivity: 96.021 cm^3
• Polarizability: 32.05324 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: -0.67
• LOG S: -2.28
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7