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

• ChemBase ID: 670228
• Molecular Formular: C24H23FN4
• Molecular Mass: 386.4646232
• Monoisotopic Mass: 386.19067498
• SMILES: n1n(cc(c1c1ccc(cc1)F)CNCCc1ccncc1)c1ccc(cc1)C
• Canonical SMILES: Fc1ccc(cc1)c1nn(cc1CNCCc1ccncc1)c1ccc(cc1)C
• InChI: InChI=1S/C24H23FN4/c1-18-2-8-23(9-3-18)29-17-21(16-27-15-12-19-10-13-26-14-11-19)24(28-29)20-4-6-22(25)7-5-20/h2-11,13-14,17,27H,12,15-16H2,1H3
• InChIKey: MIFSITRJUANVEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6996505
• LogD (pH = 7.4): 2.9545217
• Log P: 5.102074
• Molar Refractivity: 114.9002 cm^3
• Polarizability: 45.488827 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.65
• LOG S: -6.21
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 7