1-[1-(3-bromophenyl)-5-methyl-pyrazol-4-yl]ethanamine

Systemtic Name: 1-[1-(3-bromophenyl)-5-methyl-pyrazol-4-yl]ethanamine Openeye Name: 1-[1-(3-bromophenyl)-5-methyl-pyrazol-4-yl]ethanamine CAS Name: 1-[1-(3-bromophenyl)-5-methyl-4-pyrazolyl]ethanamine IUPAC Name: 1-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]ethanamine Traditional Name: 1-[1-(3-bromophenyl)-5-methyl-pyrazol-4-yl]ethylamine Formula: C12H14BrN3 MolecularWeight: 280.16366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)Br)C(C)N

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)Br)C(C)N

InChI

InChI=1S/C12H14BrN3/c1-8(14)12-7-15-16(9(12)2)11-5-3-4-10(13)6-11/h3-8H,14H2,1-2H3