N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine

Systemtic Name: N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine CAS Name: N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine IUPAC Name: N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine Traditional Name: [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl-ethyl-amine Formula: C12H14ClN3 MolecularWeight: 235.71266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(NN=C1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCNCC1=C(NN=C1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H14ClN3/c1-2-14-7-10-8-15-16-12(10)9-4-3-5-11(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16)