1H-indazole-7-carbohydrazide

• ChemBase ID: 90598
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: [nH]1c2c(cccc2cn1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc2c1[nH]nc2
• InChI: InChI=1S/C8H8N4O/c9-11-8(13)6-3-1-2-5-4-10-12-7(5)6/h1-4H,9H2,(H,10,12)(H,11,13)
• InChIKey: LQELUOKCTPFBDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazole-7-carbohydrazide
• IUPAC Traditional name: 1H-indazole-7-carbohydrazide
• Synonyms: 1H-Indazole-7-carboxylic acid hydrazide; 1H-Indazole-7-carbohydrazide

Database IDs

• PubChem SID: 162104777
• PubChem CID: 53395596

CALCULATED PROPERTIES

• Acid pKa: 11.265779
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.15032366
• LogD (pH = 7.4): -0.14959544
• Log P: -0.14952771
• Molar Refractivity: 49.6356 cm^3
• Polarizability: 18.89981 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon