methyl({[2-(5-methylfuran-2-yl)phenyl]methyl})[3-(1H-pyrazol-1-yl)propyl]amine

• ChemBase ID: 723970
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(oc(cc1)C)c1c(CN(CCCn2nccc2)C)cccc1
• Canonical SMILES: CN(Cc1ccccc1c1ccc(o1)C)CCCn1cccn1
• InChI: InChI=1S/C19H23N3O/c1-16-9-10-19(23-16)18-8-4-3-7-17(18)15-21(2)12-6-14-22-13-5-11-20-22/h3-5,7-11,13H,6,12,14-15H2,1-2H3
• InChIKey: WIPNFGIJDSWQNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(5-methylfuran-2-yl)phenyl]methyl})[3-(1H-pyrazol-1-yl)propyl]amine
• IUPAC Traditional name: methyl({[2-(5-methylfuran-2-yl)phenyl]methyl})[3-(pyrazol-1-yl)propyl]amine
• Synonyms: N-methyl-N-[2-(5-methyl-2-furyl)benzyl]-3-(1H-pyrazol-1-yl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2966109
• LogD (pH = 7.4): 0.91115195
• Log P: 3.1112165
• Molar Refractivity: 105.1353 cm^3
• Polarizability: 37.008904 Å^3
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.98
• LOG S: -3.85
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 7