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

• ChemBase ID: 308873
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c12c([nH]nc1C)CCNC2
• Canonical SMILES: Cc1n[nH]c2c1CNCC2
• InChI: InChI=1S/C7H11N3/c1-5-6-4-8-3-2-7(6)10-9-5/h8H,2-4H2,1H3,(H,9,10)
• InChIKey: SKNBYROUCJKRDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 740061-36-3
• MDL Number: MFCD18800738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2225509
• LogD (pH = 7.4): -1.6191957
• Log P: -0.30166304
• Molar Refractivity: 40.8824 cm^3
• Polarizability: 15.134062 Å^3
• Polar Surface Area: 40.71 Å^2