1H-indazole-6-carboxamide

• ChemBase ID: 268984
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: n1[nH]c2c(c1)ccc(C(=O)N)c2
• Canonical SMILES: NC(=O)c1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-4-10-11-7(6)3-5/h1-4H,(H2,9,12)(H,10,11)
• InChIKey: FBGOHJNZYJSJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazole-6-carboxamide
• IUPAC Traditional name: 1H-indazole-6-carboxamide
• Synonyms: 1H-indazole-6-carboxamide

Database IDs

• CAS Number: 906000-44-0
• MDL Number: MFCD11643880
• PubChem SID: 164324894
• PubChem CID: 22360481

CALCULATED PROPERTIES

• Acid pKa: 10.312614
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.14692792
• LogD (pH = 7.4): 0.1464301
• Log P: 0.14694798
• Molar Refractivity: 45.1515 cm^3
• Polarizability: 17.470657 Å^3
• Polar Surface Area: 71.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.713

Product Information

• Purity: 95%; 95+%