N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(3-methoxyphenyl)azetidin-1-yl]acetamide

• ChemBase ID: 675020
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(c(n(nc1C)CC)C)NC(=O)CN1C(CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1CC(=O)Nc1c(C)nn(c1C)CC
• InChI: InChI=1S/C19H26N4O2/c1-5-23-14(3)19(13(2)21-23)20-18(24)12-22-10-9-17(22)15-7-6-8-16(11-15)25-4/h6-8,11,17H,5,9-10,12H2,1-4H3,(H,20,24)
• InChIKey: OPIYQBZUFFAXJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(3-methoxyphenyl)azetidin-1-yl]acetamide
• IUPAC Traditional name: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(3-methoxyphenyl)azetidin-1-yl]acetamide
• Synonyms: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(3-methoxyphenyl)azetidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.426012
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0753632
• LogD (pH = 7.4): 1.714027
• Log P: 1.7330579
• Molar Refractivity: 111.3856 cm^3
• Polarizability: 37.575325 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.15
• LOG S: -2.68
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6