N-methyl-2-(2-phenyl-1H-imidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

• ChemBase ID: 484695
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N(CCc1c[nH]nc1)C
• Canonical SMILES: O=C(N(CCc1c[nH]nc1)C)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C17H19N5O/c1-21(9-7-14-11-19-20-12-14)16(23)13-22-10-8-18-17(22)15-5-3-2-4-6-15/h2-6,8,10-12H,7,9,13H2,1H3,(H,19,20)
• InChIKey: VAJRHLQMSDUVAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-phenyl-1H-imidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-phenylimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
• Synonyms: N-methyl-2-(2-phenyl-1H-imidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.295593
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.97643435
• LogD (pH = 7.4): 1.5202475
• Log P: 1.5389333
• Molar Refractivity: 99.7663 cm^3
• Polarizability: 34.22175 Å^3
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -2.29
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 6