2-[1-(6-aminopyridin-3-yl)-1H-pyrazol-4-yl]ethan-1-ol

• ChemBase ID: 489389
• Molecular Formular: C10H12N4O
• Molecular Mass: 204.22848
• Monoisotopic Mass: 204.10111102
• SMILES: n1(ncc(c1)CCO)c1cnc(N)cc1
• Canonical SMILES: OCCc1cnn(c1)c1ccc(nc1)N
• InChI: InChI=1S/C10H12N4O/c11-10-2-1-9(6-12-10)14-7-8(3-4-15)5-13-14/h1-2,5-7,15H,3-4H2,(H2,11,12)
• InChIKey: OGCYKEJSNCLNPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(6-aminopyridin-3-yl)-1H-pyrazol-4-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-(6-aminopyridin-3-yl)pyrazol-4-yl]ethanol
• Synonyms: 2-[1-(6-aminopyridin-3-yl)-1H-pyrazol-4-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.733179
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6363115
• LogD (pH = 7.4): 0.09801731
• Log P: 0.12823491
• Molar Refractivity: 58.8476 cm^3
• Polarizability: 21.868559 Å^3
• Polar Surface Area: 76.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.2
• LOG S: -0.86
• Polar Surface Area: 76.96 Å^2
• Rotatable Bonds: 3