4-amino-N-(1H-indazol-6-yl)benzamide

• ChemBase ID: 268189
• Molecular Formular: C14H12N4O
• Molecular Mass: 252.27128
• Monoisotopic Mass: 252.10111102
• SMILES: C(=O)(Nc1cc2[nH]ncc2cc1)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C14H12N4O/c15-11-4-1-9(2-5-11)14(19)17-12-6-3-10-8-16-18-13(10)7-12/h1-8H,15H2,(H,16,18)(H,17,19)
• InChIKey: XIOQERNDRIBCGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(1H-indazol-6-yl)benzamide
• IUPAC Traditional name: 4-amino-N-(1H-indazol-6-yl)benzamide
• Synonyms: 4-amino-N-(1H-indazol-6-yl)benzamide

Database IDs

• MDL Number: MFCD12503759
• PubChem SID: 164324099
• PubChem CID: 43710785

CALCULATED PROPERTIES

• Acid pKa: 11.834178
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.5582103
• LogD (pH = 7.4): 1.5592381
• Log P: 1.5592666
• Molar Refractivity: 76.307 cm^3
• Polarizability: 28.393385 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 272 - 274°C
• Hydrophobicity(logP): 1.812

Product Information

• Purity: 95%