CAS 1638221-34-7

1H-Indazole-3-carboxylic acid, 5-methyl-, hydrate (1:1)

Description:

1H-Indazole-3-carboxylic acid, 5-methyl-, hydrate (1:1) is a chemical compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a carboxylic acid functional group at the 3-position and a methyl group at the 5-position contributes to its unique chemical properties. This compound is typically encountered as a hydrate, indicating that it contains water molecules in its crystalline structure, which can influence its solubility and stability. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with indazole derivatives. Its CAS number, 1638221-34-7, allows for precise identification in chemical databases. The compound's characteristics, including its melting point, solubility, and reactivity, would be influenced by the presence of the carboxylic acid and the hydration state, making it an interesting subject for further research in organic synthesis and drug development.

Formula: C₉H₈N₂O₂·H₂O

InChI: InChI=1S/C9H8N2O2.H2O/c1-5-2-3-7-6(4-5)8(9(12)13)11-10-7;/h2-4H,1H3,(H,10,11)(H,12,13);1H2

InChI key: InChIKey=NGJPLEHXKLGFMZ-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=2C(NN1)=CC=C(C)C2.O

Synonyms:

• 1H-Indazole-3-carboxylic acid, 5-methyl-, hydrate (1:1)