1H-indazole-7-carboxamide

• ChemBase ID: 67795
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: [nH]1ncc2cccc(c12)C(=O)N
• Canonical SMILES: NC(=O)c1cccc2c1[nH]nc2
• InChI: InChI=1S/C8H7N3O/c9-8(12)6-3-1-2-5-4-10-11-7(5)6/h1-4H,(H2,9,12)(H,10,11)
• InChIKey: ZWZKHJQCLZIUIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazole-7-carboxamide
• IUPAC Traditional name: 1H-indazole-7-carboxamide
• Synonyms: 1H-Indazole-7-carboxamide

Database IDs

• CAS Number: 312746-74-0
• MDL Number: MFCD11870747
• PubChem SID: 162033530
• PubChem CID: 44586040

CALCULATED PROPERTIES

• Acid pKa: 11.3332405
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.14694001
• LogD (pH = 7.4): 0.14689854
• Log P: 0.14694798
• Molar Refractivity: 45.1515 cm^3
• Polarizability: 17.473557 Å^3
• Polar Surface Area: 71.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%