{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine

• ChemBase ID: 520106
• Molecular Formular: C23H24FN5
• Molecular Mass: 389.4685632
• Monoisotopic Mass: 389.20157401
• SMILES: n1n(cc(c1c1ccc(cc1)F)CNCCc1cn(nc1)C)c1ccc(cc1)C
• Canonical SMILES: Fc1ccc(cc1)c1nn(cc1CNCCc1cnn(c1)C)c1ccc(cc1)C
• InChI: InChI=1S/C23H24FN5/c1-17-3-9-22(10-4-17)29-16-20(14-25-12-11-18-13-26-28(2)15-18)23(27-29)19-5-7-21(24)8-6-19/h3-10,13,15-16,25H,11-12,14H2,1-2H3
• InChIKey: BGNCVNHADQSJEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}[2-(1-methyl-1H-pyrazol-4-yl)ethyl]amine
• IUPAC Traditional name: {[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl}[2-(1-methylpyrazol-4-yl)ethyl]amine
• Synonyms: N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1-methyl-1H-pyrazol-4-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.570539
• LogD (pH = 7.4): 2.643448
• Log P: 4.7476068
• Molar Refractivity: 125.9605 cm^3
• Polarizability: 44.92549 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.03
• LOG S: -6.52
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 7