2-[4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]ethanamine

Systemtic Name: 2-[4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]ethanamine Openeye Name: 2-[4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)phenyl]ethanamine CAS Name: 2-[4-(4-iodo-3,5-dimethyl-1-pyrazolyl)phenyl]ethanamine IUPAC Name: 2-[4-(4-iodo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine Traditional Name: 2-[4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)phenyl]ethylamine Formula: C13H16IN3 MolecularWeight: 341.19071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)CCN)C)I

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)CCN)C)I

InChI

InChI=1S/C13H16IN3/c1-9-13(14)10(2)17(16-9)12-5-3-11(4-6-12)7-8-15/h3-6H,7-8,15H2,1-2H3