6-methyl-3-[3-(1H-pyrazol-1-yl)phenyl]pyridin-2-amine

• ChemBase ID: 584420
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: c1(nc(ccc1c1cc(n2nccc2)ccc1)C)N
• Canonical SMILES: Cc1ccc(c(n1)N)c1cccc(c1)n1cccn1
• InChI: InChI=1S/C15H14N4/c1-11-6-7-14(15(16)18-11)12-4-2-5-13(10-12)19-9-3-8-17-19/h2-10H,1H3,(H2,16,18)
• InChIKey: GASYFZHROVMIHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3-[3-(1H-pyrazol-1-yl)phenyl]pyridin-2-amine
• IUPAC Traditional name: 6-methyl-3-[3-(pyrazol-1-yl)phenyl]pyridin-2-amine
• Synonyms: 6-methyl-3-[3-(1H-pyrazol-1-yl)phenyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.86253387
• LogD (pH = 7.4): 2.17249
• Log P: 2.385519
• Molar Refractivity: 77.0044 cm^3
• Polarizability: 30.436993 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.92
• LOG S: -3.52
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2