N-ethyl-2-(pyrazin-2-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

• ChemBase ID: 556445
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: C(=O)(Cc1nccnc1)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)Cc1cnccn1)CCn1cccn1
• InChI: InChI=1S/C13H17N5O/c1-2-17(8-9-18-7-3-4-16-18)13(19)10-12-11-14-5-6-15-12/h3-7,11H,2,8-10H2,1H3
• InChIKey: KEWHHGHKCJRPOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(pyrazin-2-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: N-ethyl-2-(pyrazin-2-yl)-N-[2-(pyrazol-1-yl)ethyl]acetamide
• Synonyms: N-ethyl-2-pyrazin-2-yl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.21183813
• LogD (pH = 7.4): -0.21170373
• Log P: -0.21170202
• Molar Refractivity: 82.0364 cm^3
• Polarizability: 27.2067 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.74
• LOG S: -1.77
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 6