1-({5-[2-(3-methoxyphenyl)azetidine-1-carbonyl]furan-2-yl}methyl)-1H-pyrazole

• ChemBase ID: 673853
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: N1(C(=O)c2oc(cc2)Cn2nccc2)C(CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)c1ccc(o1)Cn1cccn1
• InChI: InChI=1S/C19H19N3O3/c1-24-15-5-2-4-14(12-15)17-8-11-22(17)19(23)18-7-6-16(25-18)13-21-10-3-9-20-21/h2-7,9-10,12,17H,8,11,13H2,1H3
• InChIKey: NDFUVRAKRUIBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({5-[2-(3-methoxyphenyl)azetidine-1-carbonyl]furan-2-yl}methyl)-1H-pyrazole
• IUPAC Traditional name: 1-({5-[2-(3-methoxyphenyl)azetidine-1-carbonyl]furan-2-yl}methyl)pyrazole
• Synonyms: 1-[(5-{[2-(3-methoxyphenyl)azetidin-1-yl]carbonyl}-2-furyl)methyl]-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9187049
• LogD (pH = 7.4): 1.9188215
• Log P: 1.9188229
• Molar Refractivity: 104.3566 cm^3
• Polarizability: 35.116875 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.42
• LOG S: -2.87
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5