5-(chloromethyl)-1,3-dimethyl-4-(2-phenylethynyl)pyrazole

Systemtic Name: 5-(chloromethyl)-1,3-dimethyl-4-(2-phenylethynyl)pyrazole Openeye Name: 5-(chloromethyl)-1,3-dimethyl-4-(2-phenylethynyl)pyrazole CAS Name: 5-(chloromethyl)-1,3-dimethyl-4-(2-phenylethynyl)pyrazole IUPAC Name: 5-(chloromethyl)-1,3-dimethyl-4-(2-phenylethynyl)pyrazole Traditional Name: 5-(chloromethyl)-1,3-dimethyl-4-(2-phenylethynyl)pyrazole Formula: C14H13ClN2 MolecularWeight: 244.71942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#CC2=CC=CC=C2)CCl)C

Isomeric SMILES

CC1=NN(C(=C1C#CC2=CC=CC=C2)CCl)C

InChI

InChI=1S/C14H13ClN2/c1-11-13(14(10-15)17(2)16-11)9-8-12-6-4-3-5-7-12/h3-7H,10H2,1-2H3