N-ethyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 846330
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N(C/C=C/c1ccccc1)CC
• Canonical SMILES: CCN(C(=O)c1cnn2c1n(C)cc2)C/C=C/c1ccccc1
• InChI: InChI=1S/C18H20N4O/c1-3-21(11-7-10-15-8-5-4-6-9-15)18(23)16-14-19-22-13-12-20(2)17(16)22/h4-10,12-14H,3,11H2,1-2H3/b10-7+
• InChIKey: XPLXHSHMEPMZNO-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-ethyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]pyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-ethyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0745306
• LogD (pH = 7.4): 3.0745308
• Log P: 3.0745308
• Molar Refractivity: 103.2029 cm^3
• Polarizability: 34.21863 Å^3
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.45
• LOG S: -3.53
• Polar Surface Area: 42.54 Å^2
• Rotatable Bonds: 5