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

• ChemBase ID: 719160
• Molecular Formular: C23H22FN3
• Molecular Mass: 359.4392832
• Monoisotopic Mass: 359.17977594
• SMILES: n1(c(c(cn1)C(NCc1c(F)cccc1)C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CC(c1cnn(c1C)c1cccc2c1cccc2)NCc1ccccc1F
• InChI: InChI=1S/C23H22FN3/c1-16(25-14-19-9-4-6-12-22(19)24)21-15-26-27(17(21)2)23-13-7-10-18-8-3-5-11-20(18)23/h3-13,15-16,25H,14H2,1-2H3
• InChIKey: DUWQNNQXGORUDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6822648
• LogD (pH = 7.4): 4.4136624
• Log P: 5.0902014
• Molar Refractivity: 108.5154 cm^3
• Polarizability: 43.041527 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.57
• LOG S: -5.74
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 5