2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 265020
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: n1(nc2c(c1)CNCC2)c1ccccc1
• Canonical SMILES: c1ccc(cc1)n1cc2c(n1)CCNC2
• InChI: InChI=1S/C12H13N3/c1-2-4-11(5-3-1)15-9-10-8-13-7-6-12(10)14-15/h1-5,9,13H,6-8H2
• InChIKey: WYAIJTGPEFAROM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 2-phenyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

Database IDs

• MDL Number: MFCD09040786
• PubChem SID: 164320930
• PubChem CID: 16228823

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.179571
• LogD (pH = 7.4): 0.4610535
• Log P: 1.6871251
• Molar Refractivity: 60.3995 cm^3
• Polarizability: 23.67475 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.419

Product Information

• Purity: 95%