1H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 63441
• Molecular Formular: C6H5N3
• Molecular Mass: 119.124
• Monoisotopic Mass: 119.04834718
• SMILES: c1c2c(ccnc2)[nH]n1
• Canonical SMILES: c1ncc2c(c1)[nH]nc2
• InChI: InChI=1S/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9)
• InChIKey: WCXFPLXZZSWROM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 1H-pyrazolo[4,3-c]pyridine
• Synonyms: 1H-Pyrazolo[4,3-c]pyridine; 5-Aza-1H-indazole

Database IDs

• CAS Number: 271-52-3
• MDL Number: MFCD11846327
• PubChem SID: 162029180
• PubChem CID: 19930500

CALCULATED PROPERTIES

• Acid pKa: 12.033099
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07695806
• LogD (pH = 7.4): 0.078604236
• Log P: 0.07863526
• Molar Refractivity: 33.9162 cm^3
• Polarizability: 13.762249 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.218

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%