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

• ChemBase ID: 728303
• Molecular Formular: C14H21N5O3
• Molecular Mass: 307.34824
• Monoisotopic Mass: 307.16443956
• SMILES: c1(n(nc(c1)C)C(CC)CC)NC(=O)CN1C(=O)NCC1=O
• Canonical SMILES: CCC(n1nc(cc1NC(=O)CN1C(=O)CNC1=O)C)CC
• InChI: InChI=1S/C14H21N5O3/c1-4-10(5-2)19-11(6-9(3)17-19)16-12(20)8-18-13(21)7-15-14(18)22/h6,10H,4-5,7-8H2,1-3H3,(H,15,22)(H,16,20)
• InChIKey: QCLREHUUHMQTMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.540827
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15210281
• LogD (pH = 7.4): 0.1526513
• Log P: 0.15268981
• Molar Refractivity: 91.2683 cm^3
• Polarizability: 30.223318 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: -0.44
• LOG S: -2.38
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 6