5-bromo-1-ethyl-1H-pyrazole

• ChemBase ID: 309656
• Molecular Formular: C5H7BrN2
• Molecular Mass: 175.02648
• Monoisotopic Mass: 173.97926023
• SMILES: c1(n(ncc1)CC)Br
• Canonical SMILES: CCn1nccc1Br
• InChI: InChI=1S/C5H7BrN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3
• InChIKey: GHCZXPXCEJYMOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1-ethyl-1H-pyrazole
• IUPAC Traditional name: 5-bromo-1-ethylpyrazole
• Synonyms: 5-bromo-1-ethyl-1H-pyrazole

Database IDs

• CAS Number: 1268334-99-1
• MDL Number: MFCD18447684

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2269722
• LogD (pH = 7.4): 1.2270213
• Log P: 1.2270219
• Molar Refractivity: 47.1148 cm^3
• Polarizability: 13.697599 Å^3
• Polar Surface Area: 17.82 Å^2