5-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-3-phenyl-1,2,4-oxadiazole hydrochloride

• ChemBase ID: 55809
• Molecular Formular: C15H16ClN5O
• Molecular Mass: 317.77344
• Monoisotopic Mass: 317.10433784
• SMILES: C1CNCc2c1n(nc2c1onc(n1)c1ccccc1)C.Cl
• Canonical SMILES: Cn1nc(c2c1CCNC2)c1onc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C15H15N5O.ClH/c1-20-12-7-8-16-9-11(12)13(18-20)15-17-14(19-21-15)10-5-3-2-4-6-10;/h2-6,16H,7-9H2,1H3;1H
• InChIKey: CVIILMSRSAYXEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-3-phenyl-1,2,4-oxadiazole hydrochloride
• IUPAC Traditional name: 5-{1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-3-phenyl-1,2,4-oxadiazole hydrochloride
• Synonyms: 1-Methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5,6,7 -tetrahydro-1H-pyrazolo[4,3-c]pyridine HCl

Database IDs

• MDL Number: MFCD19103449
• PubChem SID: 162060572
• PubChem CID: 56773779

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9885199
• LogD (pH = 7.4): 0.50981736
• Log P: 2.1604545
• Molar Refractivity: 112.2637 cm^3
• Polarizability: 30.824736 Å^3
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false