CAS 1235440-19-3

3-(Chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole

Description:

3-(Chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a chloromethyl group (-CH2Cl) at the 3-position and a 3-fluorophenyl group at the 1-position contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its structure suggests potential for interactions with biological targets, making it of interest in drug development. The fluorine atom in the phenyl group can enhance lipophilicity and metabolic stability, which are desirable properties in pharmaceutical compounds. Additionally, the chloromethyl group can serve as a reactive site for further chemical modifications, allowing for the synthesis of derivatives with varied biological activities. As with many halogenated compounds, safety precautions should be taken due to potential toxicity and environmental impact.

Formula: C₁₀H₈ClFN₂

InChI: InChI=1S/C10H8ClFN2/c11-7-9-4-5-14(13-9)10-3-1-2-8(12)6-10/h1-6H,7H2

InChI key: InChIKey=ZUZKLQHXSMUHGP-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole, 3-(chloromethyl)-1-(3-fluorophenyl)-
• 3-(Chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole

3-(Chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole

CAS: 1235440-19-3

Versatile small molecule scaffold

Formula: C₁₀H₈ClFN₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 210.63 g/mol

Ref: 3D-KZB44019