N-ethyl-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 400505
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N(Cc1cn(nc1)C)CC
• Canonical SMILES: CCN(C(=O)c1cnn2c1n(C)cc2)Cc1cnn(c1)C
• InChI: InChI=1S/C14H18N6O/c1-4-19(10-11-7-15-18(3)9-11)14(21)12-8-16-20-6-5-17(2)13(12)20/h5-9H,4,10H2,1-3H3
• InChIKey: PDLXAPMWGKUEJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-ethyl-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-ethyl-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8923947
• LogD (pH = 7.4): 0.8924743
• Log P: 0.8924753
• Molar Refractivity: 101.7877 cm^3
• Polarizability: 29.304754 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.76
• LOG S: -1.94
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 4