2,3-dihydro-1H-indazole

• ChemBase ID: 810601
• Molecular Formular: C7H8N2
• Molecular Mass: 120.15182
• Monoisotopic Mass: 120.06874827
• SMILES: C1NNc2ccccc12
• Canonical SMILES: c1ccc2c(c1)NNC2
• InChI: InChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,8-9H,5H2
• InChIKey: QDKGOMZIPXGDDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indazole
• IUPAC Traditional name: 2,3-dihydro-1H-indazole
• Synonyms: 2,3-DIHYDRO-1H-INDAZOLE

Database IDs

• CAS Number: 5686-94-2

CALCULATED PROPERTIES

• Acid pKa: 19.738043
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.27202
• LogD (pH = 7.4): 1.3388693
• Log P: 1.3397918
• Molar Refractivity: 48.6468 cm^3
• Polarizability: 14.008243 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%