1-[4-[3-[3-fluoranyl-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-[3-fluoranyl-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C21H19F4N5O2 MolecularWeight: 449.401473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=NN2)C3=CC(=CC(=C3)F)C(F)(F)F)C4=NC=NC=C4)C(=O)CO

Isomeric SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC(=CC(=C3)F)C(F)(F)F)C4=NC=NC=C4)C(=O)CO

InChI

InChI=1S/C21H19F4N5O2/c22-15-8-13(7-14(9-15)21(23,24)25)20-18(16-1-4-26-11-27-16)19(28-29-20)12-2-5-30(6-3-12)17(32)10-31/h1,4,7-9,11-12,31H,2-3,5-6,10H2,(H,28,29)