5-(4-butylphenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(4-butylphenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(4-butylphenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(4-butylphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(4-butylphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(4-butylphenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C13H16IN3 MolecularWeight: 341.19071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=NN2)N)I

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=NN2)N)I

InChI

InChI=1S/C13H16IN3/c1-2-3-4-9-5-7-10(8-6-9)12-11(14)13(15)17-16-12/h5-8H,2-4H2,1H3,(H3,15,16,17)