4-[(4-ethylphenyl)methyl]-2-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: 4-[(4-ethylphenyl)methyl]-2-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 4-[(4-ethylphenyl)methyl]-2-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 4-[(4-ethylphenyl)methyl]-2-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 4-[(4-ethylphenyl)methyl]-2-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 4-(4-ethylbenzyl)-1-isopropyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C16H19F3N2O MolecularWeight: 312.33007

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N(NC2=O)C(C)C)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N(NC2=O)C(C)C)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O/c1-4-11-5-7-12(8-6-11)9-13-14(16(17,18)19)21(10(2)3)20-15(13)22/h5-8,10H,4,9H2,1-3H3,(H,20,22)