5H-imidazo[1,2-b]pyrazole

• ChemBase ID: 287725
• Molecular Formular: C5H5N3
• Molecular Mass: 107.1133
• Monoisotopic Mass: 107.04834718
• SMILES: [nH]1ccc2nccn12
• Canonical SMILES: c1cn2c(n1)cc[nH]2
• InChI: InChI=1S/C5H5N3/c1-2-7-8-4-3-6-5(1)8/h1-4,7H
• InChIKey: MFGQIJCMHXZHHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H-imidazo[1,2-b]pyrazole
• IUPAC Traditional name: 5H-imidazo[1,2-b]pyrazole
• Synonyms: 1H-Imidazo[1,2-b]pyrazole

Database IDs

• CAS Number: 251-80-9
• PubChem SID: 180673256
• PubChem CID: 159609

CALCULATED PROPERTIES

• Acid pKa: 16.214207
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.22532864
• LogD (pH = 7.4): 0.52539164
• Log P: 0.5625
• Molar Refractivity: 50.0739 cm^3
• Polarizability: 10.986439 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%