N-[1-(1H-pyrazol-1-yl)propan-2-yl]quinoxaline-5-carboxamide

• ChemBase ID: 853732
• Molecular Formular: C15H15N5O
• Molecular Mass: 281.3125
• Monoisotopic Mass: 281.12766013
• SMILES: c1(C(=O)NC(Cn2nccc2)C)c2nccnc2ccc1
• Canonical SMILES: CC(NC(=O)c1cccc2c1nccn2)Cn1cccn1
• InChI: InChI=1S/C15H15N5O/c1-11(10-20-9-3-6-18-20)19-15(21)12-4-2-5-13-14(12)17-8-7-16-13/h2-9,11H,10H2,1H3,(H,19,21)
• InChIKey: UYOQSDJZTDHORY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-pyrazol-1-yl)propan-2-yl]quinoxaline-5-carboxamide
• IUPAC Traditional name: N-[1-(pyrazol-1-yl)propan-2-yl]quinoxaline-5-carboxamide
• Synonyms: N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-5-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.642321
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.019415
• LogD (pH = 7.4): 1.019549
• Log P: 1.0195507
• Molar Refractivity: 88.8367 cm^3
• Polarizability: 30.8183 Å^3
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -3.39
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 4