1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 258131
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c12c([nH]nc1)CCNC2
• Canonical SMILES: C1NCc2c(C1)[nH]nc2
• InChI: InChI=1S/C6H9N3/c1-2-7-3-5-4-8-9-6(1)5/h4,7H,1-3H2,(H,8,9)
• InChIKey: VGMJQHONPAXABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine; 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

Database IDs

• CAS Number: 410544-19-3
• MDL Number: MFCD13176187; MFCD06739048
• PubChem SID: 164314041
• PubChem CID: 2760583

CALCULATED PROPERTIES

• Acid pKa: 14.138152
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3437858
• LogD (pH = 7.4): -1.7332449
• Log P: -0.4330332
• Molar Refractivity: 36.2909 cm^3
• Polarizability: 13.373606 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.536

Product Information

• Purity: 95%