1H-indazole-4-carboxamide

• ChemBase ID: 292465
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: NC(=O)c1c2cn[nH]c2ccc1
• Canonical SMILES: NC(=O)c1cccc2c1cn[nH]2
• InChI: InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-7-6(5)4-10-11-7/h1-4H,(H2,9,12)(H,10,11)
• InChIKey: UEBBCHPIFFPKKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazole-4-carboxamide
• IUPAC Traditional name: 1H-indazole-4-carboxamide
• Synonyms: 1H-Indazole-4-carboxamide

Database IDs

• CAS Number: 1203579-36-5
• PubChem SID: 180677996
• PubChem CID: 57487270

CALCULATED PROPERTIES

• Acid pKa: 12.632737
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.14694145
• LogD (pH = 7.4): 0.14694549
• Log P: 0.14694798
• Molar Refractivity: 45.1515 cm^3
• Polarizability: 17.473866 Å^3
• Polar Surface Area: 71.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%