3-{3-[1-(2-methoxyethyl)-1H-pyrazol-3-yl]phenyl}-6-(propan-2-yloxy)pyridazine

• ChemBase ID: 736930
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1c(ccn1CCOC)c1cc(c2nnc(OC(C)C)cc2)ccc1
• Canonical SMILES: COCCn1ccc(n1)c1cccc(c1)c1ccc(nn1)OC(C)C
• InChI: InChI=1S/C19H22N4O2/c1-14(2)25-19-8-7-17(20-21-19)15-5-4-6-16(13-15)18-9-10-23(22-18)11-12-24-3/h4-10,13-14H,11-12H2,1-3H3
• InChIKey: WVODLSQAFSEKDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[1-(2-methoxyethyl)-1H-pyrazol-3-yl]phenyl}-6-(propan-2-yloxy)pyridazine
• IUPAC Traditional name: 3-isopropoxy-6-{3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl}pyridazine
• Synonyms: 3-isopropoxy-6-{3-[1-(2-methoxyethyl)-1H-pyrazol-3-yl]phenyl}pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4328938
• LogD (pH = 7.4): 3.4330072
• Log P: 3.4330087
• Molar Refractivity: 109.1838 cm^3
• Polarizability: 39.626156 Å^3
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.03
• LOG S: -4.25
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 7