[(2,6-difluoro-3-methylphenyl)methyl][(1,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamine

• ChemBase ID: 479924
• Molecular Formular: C15H19F2N3
• Molecular Mass: 279.3282664
• Monoisotopic Mass: 279.15470406
• SMILES: c1(c(n(nc1)C)C)CN(Cc1c(c(ccc1F)C)F)C
• Canonical SMILES: CN(Cc1cnn(c1C)C)Cc1c(F)ccc(c1F)C
• InChI: InChI=1S/C15H19F2N3/c1-10-5-6-14(16)13(15(10)17)9-19(3)8-12-7-18-20(4)11(12)2/h5-7H,8-9H2,1-4H3
• InChIKey: DIYNFHPHXWJYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,6-difluoro-3-methylphenyl)methyl][(1,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamine
• IUPAC Traditional name: [(2,6-difluoro-3-methylphenyl)methyl][(1,5-dimethylpyrazol-4-yl)methyl]methylamine
• Synonyms: (2,6-difluoro-3-methylbenzyl)[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2750099
• LogD (pH = 7.4): 3.0379322
• Log P: 3.0653625
• Molar Refractivity: 88.7404 cm^3
• Polarizability: 28.400946 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -2.67
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4