CAS 937601-64-4

4,5,6,7-Tetrahydro-α-methyl-3-(trifluoromethyl)-2H-indazole-2-propanenitrile

Description:

4,5,6,7-Tetrahydro-α-methyl-3-(trifluoromethyl)-2H-indazole-2-propanenitrile, identified by its CAS number 937601-64-4, is a synthetic organic compound characterized by its complex structure, which includes a tetrahydroindazole core. This compound features a trifluoromethyl group, which is known to enhance lipophilicity and biological activity, making it of interest in medicinal chemistry. The presence of a nitrile functional group contributes to its reactivity and potential applications in various chemical reactions. The tetrahydro structure indicates that it is a saturated derivative, which may influence its physical properties, such as boiling and melting points, as well as its solubility in organic solvents. Additionally, the α-methyl group can affect the compound's steric and electronic properties, potentially impacting its interactions with biological targets. Overall, this compound may be explored for its pharmacological properties, particularly in the development of new therapeutic agents. However, specific biological activity and safety profiles would require further investigation through empirical studies.

Formula: C₁₂H₁₄F₃N₃

InChI: InChI=1S/C12H14F3N3/c1-8(6-16)7-18-11(12(13,14)15)9-4-2-3-5-10(9)17-18/h8H,2-5,7H2,1H3

InChI key: InChIKey=QXKRQVFZMVBSHR-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C2C(=NN1CC(C#N)C)CCCC2

Synonyms:

• 2H-Indazole-2-propanenitrile, 4,5,6,7-tetrahydro-α-methyl-3-(trifluoromethyl)-
• 4,5,6,7-Tetrahydro-α-methyl-3-(trifluoromethyl)-2H-indazole-2-propanenitrile

2-Methyl-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]propanenitrile

CAS: 937601-64-4

Versatile small molecule scaffold

Formula: C₁₂H₁₄F₃N₃

Purity: Min. 95%

Molecular weight: 257.25 g/mol

Ref: 3D-MMB60164