CTK5E3095

4-[3-[5-carboxy-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid

Also Known As: EINECS 278-491-8|(4Z)-4-[(E)-3-[3-carboxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid|1H-Pyrazole-3-carboxylicacid,4-[3-[3-carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-|4-(3-(3-Carboxy-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid|4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid|4-[3-[3-CARBOXY-5-HYDROXY-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOL-4-YL]ALLYLIDENE]-4,5-DIHYDRO-5-OXO-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

Molecular Formula	C15H10F6N4O6
Molecular Weight	456.05045 g/mol
LogP	1.2216
Topological Polar Surface Area	145.06 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	456.05045
Monoisotopic Mass	456.05045
Heavy Atoms	31
Complexity	1075.2145

Chemical Identifiers

CAS Number	76552-35-7
SMILES	C(C(F)(F)F)N1C(=O)C(=C(N1)C(=O)O)C=CC=C2C(=NN(C2=O)CC(F)(F)F)C(=O)O