N-(2-methoxyethyl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]oxolane-3-carboxamide

• ChemBase ID: 568980
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1(c(n(nc1C)C)C)CN(C(=O)C1COCC1)CCOC
• Canonical SMILES: COCCN(C(=O)C1CCOC1)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C15H25N3O3/c1-11-14(12(2)17(3)16-11)9-18(6-8-20-4)15(19)13-5-7-21-10-13/h13H,5-10H2,1-4H3
• InChIKey: ATORBVRBFFICNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.016374104
• LogD (pH = 7.4): -0.014328591
• Log P: -0.014302448
• Molar Refractivity: 92.5557 cm^3
• Polarizability: 30.891043 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.01
• LOG S: -2.66
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6