[(2-fluoro-4-methoxyphenyl)methyl]({1-[5-methyl-1-(naphthalen-1-yl)-1H-pyrazol-4-yl]ethyl})amine

• ChemBase ID: 821740
• Molecular Formular: C24H24FN3O
• Molecular Mass: 389.4652632
• Monoisotopic Mass: 389.19034062
• SMILES: n1(c(c(cn1)C(NCc1c(cc(cc1)OC)F)C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: COc1ccc(c(c1)F)CNC(c1cnn(c1C)c1cccc2c1cccc2)C
• InChI: InChI=1S/C24H24FN3O/c1-16(26-14-19-11-12-20(29-3)13-23(19)25)22-15-27-28(17(22)2)24-10-6-8-18-7-4-5-9-21(18)24/h4-13,15-16,26H,14H2,1-3H3
• InChIKey: DXLFRNGZJBJBAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluoro-4-methoxyphenyl)methyl]({1-[5-methyl-1-(naphthalen-1-yl)-1H-pyrazol-4-yl]ethyl})amine
• IUPAC Traditional name: [(2-fluoro-4-methoxyphenyl)methyl]({1-[5-methyl-1-(naphthalen-1-yl)pyrazol-4-yl]ethyl})amine
• Synonyms: (2-fluoro-4-methoxybenzyl){1-[5-methyl-1-(1-naphthyl)-1H-pyrazol-4-yl]ethyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5876997
• LogD (pH = 7.4): 4.312713
• Log P: 4.93253
• Molar Refractivity: 114.9786 cm^3
• Polarizability: 45.521507 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.63
• LOG S: -5.64
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5