N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 470315
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: c1(n(nc(c1)c1ccccc1)C)C(=O)N(Cc1nc(no1)COC)CC
• Canonical SMILES: COCc1noc(n1)CN(C(=O)c1cc(nn1C)c1ccccc1)CC
• InChI: InChI=1S/C18H21N5O3/c1-4-23(11-17-19-16(12-25-3)21-26-17)18(24)15-10-14(20-22(15)2)13-8-6-5-7-9-13/h5-10H,4,11-12H2,1-3H3
• InChIKey: LWQYVMANEVLZRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-5-phenylpyrazole-3-carboxamide
• Synonyms: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8293319
• LogD (pH = 7.4): 1.8293455
• Log P: 1.8293457
• Molar Refractivity: 108.857 cm^3
• Polarizability: 37.29642 Å^3
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.18
• LOG S: -2.8
• Polar Surface Area: 86.28 Å^2
• Rotatable Bonds: 7