3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 308875
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c12c(n[nH]c1CCNC2)C(C)C
• Canonical SMILES: CC(c1n[nH]c2c1CNCC2)C
• InChI: InChI=1S/C9H15N3/c1-6(2)9-7-5-10-4-3-8(7)11-12-9/h6,10H,3-5H2,1-2H3,(H,11,12)
• InChIKey: ZPSMLHACCMACCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 3-isopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Database IDs

• CAS Number: 1177284-02-4
• MDL Number: MFCD11505346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9728715
• LogD (pH = 7.4): -0.36498278
• Log P: 0.94185907
• Molar Refractivity: 50.0838 cm^3
• Polarizability: 18.816936 Å^3
• Polar Surface Area: 40.71 Å^2