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

• ChemBase ID: 819774
• Molecular Formular: C13H11N5
• Molecular Mass: 237.25994
• Monoisotopic Mass: 237.10144538
• SMILES: n1n(c2nc(N)ccc2)ccc1c1cnccc1
• Canonical SMILES: Nc1cccc(n1)n1ccc(n1)c1cccnc1
• InChI: InChI=1S/C13H11N5/c14-12-4-1-5-13(16-12)18-8-6-11(17-18)10-3-2-7-15-9-10/h1-9H,(H2,14,16)
• InChIKey: WYZFJJWXLMAZAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9888403
• LogD (pH = 7.4): 2.0164247
• Log P: 2.0167842
• Molar Refractivity: 70.1975 cm^3
• Polarizability: 27.048206 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.85
• LOG S: -2.51
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 2