CAS 1221726-10-8

3-(Chloromethyl)-1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopentapyrazole

Description:

3-(Chloromethyl)-1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopentapyrazole is a chemical compound characterized by its complex structure, which includes a tetrahydrocyclopentapyrazole core substituted with a chloromethyl group and a 4-fluorophenyl moiety. This compound is likely to exhibit a range of chemical properties influenced by its functional groups, including potential reactivity due to the presence of the chloromethyl group, which can participate in nucleophilic substitution reactions. The fluorine atom in the phenyl ring may enhance the compound's lipophilicity and influence its biological activity, making it of interest in medicinal chemistry. Additionally, the cyclic structure contributes to its conformational rigidity, which can affect its interaction with biological targets. The compound's molecular weight, solubility, and stability would depend on the specific conditions under which it is studied. Overall, this substance may have applications in pharmaceuticals or agrochemicals, warranting further investigation into its properties and potential uses.

Formula: C₁₃H₁₂ClFN₂

InChI: InChI=1S/C13H12ClFN2/c14-8-12-11-2-1-3-13(11)17(16-12)10-6-4-9(15)5-7-10/h4-7H,1-3,8H2

InChI key: InChIKey=VUAAAHVQNVXCOM-UHFFFAOYSA-N

SMILES: C(Cl)C1=NN(C2=C1CCC2)C3=CC=C(F)C=C3

Synonyms:

• Cyclopentapyrazole, 3-(chloromethyl)-1-(4-fluorophenyl)-1,4,5,6-tetrahydro-
• 3-(Chloromethyl)-1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopentapyrazole

3-(Chloromethyl)-1-(4-fluorophenyl)-1H,4H,5H,6H-cyclopenta[C]pyrazole

CAS: 1221726-10-8

Versatile small molecule scaffold

Formula: C₁₃H₁₂ClFN₂

Purity: Min. 95%

Molecular weight: 250.7 g/mol

Ref: 3D-WYB72610