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

• ChemBase ID: 493250
• Molecular Formular: C26H25N5
• Molecular Mass: 407.5102
• Monoisotopic Mass: 407.21099583
• SMILES: n1(c(c(cn1)C(NCc1cn(nc1)c1ccccc1)C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CC(c1cnn(c1C)c1cccc2c1cccc2)NCc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C26H25N5/c1-19(27-15-21-16-28-30(18-21)23-11-4-3-5-12-23)25-17-29-31(20(25)2)26-14-8-10-22-9-6-7-13-24(22)26/h3-14,16-19,27H,15H2,1-2H3
• InChIKey: GNAJUHYDDGTDRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[5-methyl-1-(naphthalen-1-yl)-1H-pyrazol-4-yl]ethyl}[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: {1-[5-methyl-1-(naphthalen-1-yl)pyrazol-4-yl]ethyl}[(1-phenylpyrazol-4-yl)methyl]amine
• Synonyms: 1-[5-methyl-1-(1-naphthyl)-1H-pyrazol-4-yl]-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.536747
• LogD (pH = 7.4): 4.2711363
• Log P: 5.033318
• Molar Refractivity: 126.6607 cm^3
• Polarizability: 50.567017 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.48
• LOG S: -6.83
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 6