3-methoxy-6-(3-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridazine

• ChemBase ID: 794176
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: n1c(ccn1CCn1nccc1)c1cc(c2nnc(cc2)OC)ccc1
• Canonical SMILES: COc1ccc(nn1)c1cccc(c1)c1ccn(n1)CCn1cccn1
• InChI: InChI=1S/C19H18N6O/c1-26-19-7-6-17(21-22-19)15-4-2-5-16(14-15)18-8-11-25(23-18)13-12-24-10-3-9-20-24/h2-11,14H,12-13H2,1H3
• InChIKey: MOKCXNCHTMEYBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-(3-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridazine
• IUPAC Traditional name: 3-methoxy-6-(3-{1-[2-(pyrazol-1-yl)ethyl]pyrazol-3-yl}phenyl)pyridazine
• Synonyms: 3-methoxy-6-(3-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9359334
• LogD (pH = 7.4): 2.936179
• Log P: 2.936182
• Molar Refractivity: 121.9653 cm^3
• Polarizability: 39.722485 Å^3
• Polar Surface Area: 70.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.33
• LOG S: -3.72
• Polar Surface Area: 70.65 Å^2
• Rotatable Bonds: 6