[(3-fluoropyridin-2-yl)methyl](methyl){[4-(1H-pyrazol-1-yl)phenyl]methyl}amine

• ChemBase ID: 865891
• Molecular Formular: C17H17FN4
• Molecular Mass: 296.3420832
• Monoisotopic Mass: 296.14372478
• SMILES: n1(nccc1)c1ccc(CN(Cc2ncccc2F)C)cc1
• Canonical SMILES: CN(Cc1ncccc1F)Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C17H17FN4/c1-21(13-17-16(18)4-2-9-19-17)12-14-5-7-15(8-6-14)22-11-3-10-20-22/h2-11H,12-13H2,1H3
• InChIKey: WZDJFWTVDAPUIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluoropyridin-2-yl)methyl](methyl){[4-(1H-pyrazol-1-yl)phenyl]methyl}amine
• IUPAC Traditional name: [(3-fluoropyridin-2-yl)methyl](methyl){[4-(pyrazol-1-yl)phenyl]methyl}amine
• Synonyms: 1-(3-fluoro-2-pyridinyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8766502
• LogD (pH = 7.4): 2.6989522
• Log P: 2.7314355
• Molar Refractivity: 85.1123 cm^3
• Polarizability: 32.795486 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.29
• LOG S: -2.31
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5