1H-indazole-5-carboxamide

• ChemBase ID: 53176
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: c1(ccc2c(c1)cn[nH]2)C(=O)N
• Canonical SMILES: NC(=O)c1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C8H7N3O/c9-8(12)5-1-2-7-6(3-5)4-10-11-7/h1-4H,(H2,9,12)(H,10,11)
• InChIKey: HEEKRIQAHZLSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazole-5-carboxamide
• IUPAC Traditional name: 1H-indazole-5-carboxamide
• Synonyms: 1H-Indazole-5-carboxamide

Database IDs

• CAS Number: 478829-34-4
• MDL Number: MFCD11646046
• PubChem SID: 162057939
• PubChem CID: 21973588

CALCULATED PROPERTIES

• Acid pKa: 13.14585
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.14693646
• LogD (pH = 7.4): 0.14694715
• Log P: 0.14694798
• Molar Refractivity: 45.1515 cm^3
• Polarizability: 17.468344 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%; 95+%