2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide

• ChemBase ID: 833999
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: N1(C(=O)NC(C1=O)CC(=O)N(Cc1cc(n[nH]1)c1ccccc1)C)CCC
• Canonical SMILES: CCCN1C(=O)NC(C1=O)CC(=O)N(Cc1[nH]nc(c1)c1ccccc1)C
• InChI: InChI=1S/C19H23N5O3/c1-3-9-24-18(26)16(20-19(24)27)11-17(25)23(2)12-14-10-15(22-21-14)13-7-5-4-6-8-13/h4-8,10,16H,3,9,11-12H2,1-2H3,(H,20,27)(H,21,22)
• InChIKey: SLBAFFLLHDSLBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(5-phenyl-2H-pyrazol-3-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.542143
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2017518
• LogD (pH = 7.4): 1.2018491
• Log P: 1.2018818
• Molar Refractivity: 100.302 cm^3
• Polarizability: 39.398407 Å^3
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.8
• LOG S: -2.58
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 7