N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 653410
• Molecular Formular: C18H19N3O2
• Molecular Mass: 309.36236
• Monoisotopic Mass: 309.14772686
• SMILES: c1(C(=O)N(Cc2oc(cc2)C)CC)c(n2nccc2)cccc1
• Canonical SMILES: CCN(C(=O)c1ccccc1n1cccn1)Cc1ccc(o1)C
• InChI: InChI=1S/C18H19N3O2/c1-3-20(13-15-10-9-14(2)23-15)18(22)16-7-4-5-8-17(16)21-12-6-11-19-21/h4-12H,3,13H2,1-2H3
• InChIKey: IYSXRFGHJYEEMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(pyrazol-1-yl)benzamide
• Synonyms: N-ethyl-N-[(5-methyl-2-furyl)methyl]-2-(1H-pyrazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6980896
• LogD (pH = 7.4): 2.6981452
• Log P: 2.6981459
• Molar Refractivity: 90.1933 cm^3
• Polarizability: 33.9858 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.68
• LOG S: -3.75
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5