N-(2-methoxyethyl)-1-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 861394
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: c1(n(nc(c1)CC(C)C)C)C(=O)N(Cc1cnccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc(nn1C)CC(C)C)Cc1cccnc1
• InChI: InChI=1S/C18H26N4O2/c1-14(2)10-16-11-17(21(3)20-16)18(23)22(8-9-24-4)13-15-6-5-7-19-12-15/h5-7,11-12,14H,8-10,13H2,1-4H3
• InChIKey: OMENOXBUYORLJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-methyl-5-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
• Synonyms: 3-isobutyl-N-(2-methoxyethyl)-1-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.570073
• LogD (pH = 7.4): 1.6414078
• Log P: 1.6424184
• Molar Refractivity: 105.5779 cm^3
• Polarizability: 35.77902 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.36
• LOG S: -0.62
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 8