N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 737810
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: n1n(c(c(c1C)CCNC(=O)c1cc(N2C(=O)NCC2)c(cc1)C)C)CC
• Canonical SMILES: CCn1nc(c(c1C)CCNC(=O)c1ccc(c(c1)N1CCNC1=O)C)C
• InChI: InChI=1S/C20H27N5O2/c1-5-25-15(4)17(14(3)23-25)8-9-21-19(26)16-7-6-13(2)18(12-16)24-11-10-22-20(24)27/h6-7,12H,5,8-11H2,1-4H3,(H,21,26)(H,22,27)
• InChIKey: XAZHYHHUFWZVQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8242655
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5077636
• LogD (pH = 7.4): 1.51007
• Log P: 1.5100994
• Molar Refractivity: 117.4184 cm^3
• Polarizability: 39.27623 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.11
• LOG S: -2.84
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6