2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one

Systemtic Name: 2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one Openeye Name: 2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one CAS Name: 2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one IUPAC Name: 2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one Traditional Name: 2-(2,5-dimethylphenyl)-5-ethyl-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC1=NN(C(=O)C1)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C13H16N2O/c1-4-11-8-13(16)15(14-11)12-7-9(2)5-6-10(12)3/h5-7H,4,8H2,1-3H3