{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(methyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 551142
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: c1(c(nn(c1)c1ccccc1)c1cc(OC)ccc1)CN(Cc1cnccc1)C
• Canonical SMILES: COc1cccc(c1)c1nn(cc1CN(Cc1cccnc1)C)c1ccccc1
• InChI: InChI=1S/C24H24N4O/c1-27(16-19-8-7-13-25-15-19)17-21-18-28(22-10-4-3-5-11-22)26-24(21)20-9-6-12-23(14-20)29-2/h3-15,18H,16-17H2,1-2H3
• InChIKey: DXAGOWNSRCYFEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(methyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: {[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl}(methyl)(pyridin-3-ylmethyl)amine
• Synonyms: 1-[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-methyl-N-(3-pyridinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9660556
• LogD (pH = 7.4): 3.7238643
• Log P: 4.382666
• Molar Refractivity: 116.6455 cm^3
• Polarizability: 46.72609 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.09
• LOG S: -3.96
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6