5-(piperazin-1-yl)-1H-indazole

• ChemBase ID: 293343
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: c12c([nH]nc1)ccc(N1CCNCC1)c2
• Canonical SMILES: N1CCN(CC1)c1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C11H14N4/c1-2-11-9(8-13-14-11)7-10(1)15-5-3-12-4-6-15/h1-2,7-8,12H,3-6H2,(H,13,14)
• InChIKey: YTXAVWZKFXHQBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperazin-1-yl)-1H-indazole
• IUPAC Traditional name: 5-(piperazin-1-yl)-1H-indazole
• Synonyms: 5-(Piperazin-1-yl)-1H-indazole

Database IDs

• CAS Number: 478827-33-7
• PubChem SID: 180678874
• PubChem CID: 22933842

CALCULATED PROPERTIES

• Polarizability: 23.962582 Å^3
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.33607
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1299338
• LogD (pH = 7.4): -0.603901
• Log P: 0.86842316
• Molar Refractivity: 61.2571 cm^3

PROPERTIES

Product Information

• Purity: 95+%