2-bromo-5-(4-methyl-1H-pyrazol-1-yl)pyrazine

• ChemBase ID: 804151
• Molecular Formular: C8H7BrN4
• Molecular Mass: 239.07198
• Monoisotopic Mass: 237.98540824
• SMILES: c1c(ncc(n1)n1ncc(c1)C)Br
• Canonical SMILES: Cc1cnn(c1)c1cnc(cn1)Br
• InChI: InChI=1S/C8H7BrN4/c1-6-2-12-13(5-6)8-4-10-7(9)3-11-8/h2-5H,1H3
• InChIKey: OFYZREZIHXLYPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(4-methyl-1H-pyrazol-1-yl)pyrazine
• IUPAC Traditional name: 2-bromo-5-(4-methylpyrazol-1-yl)pyrazine
• Synonyms: 2-BROMO-5-(4-METHYL-1H-PYRAZOL-1-YL)PYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7058396
• LogD (pH = 7.4): 1.7058727
• Log P: 1.705873
• Molar Refractivity: 53.9256 cm^3
• Polarizability: 19.673775 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%