2-pyrimidin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-pyrimidin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-pyrimidin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-(2-pyrimidinyl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-pyrimidin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-(2-pyrimidyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C8H5F3N4O MolecularWeight: 230.14671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)N2C(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)N2C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C8H5F3N4O/c9-8(10,11)5-4-6(16)15(14-5)7-12-2-1-3-13-7/h1-4,14H