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

• ChemBase ID: 406140
• Molecular Formular: C17H25N5O3
• Molecular Mass: 347.4121
• Monoisotopic Mass: 347.19573969
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(Cc1cn(nc1)C)C1CCCCC1
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N(C1CCCCC1)Cc1cnn(c1)C
• InChI: InChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)
• InChIKey: DEKFHDZCGQKGEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6373205
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35729432
• LogD (pH = 7.4): 0.35492665
• Log P: 0.3574063
• Molar Refractivity: 102.4762 cm^3
• Polarizability: 35.078033 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.32
• LOG S: -2.77
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 6