PDB CCD ID: | 4OE |
Number of entries in BioLiP: | 4 |
Chemical formula: | C16 H9 F5 N2 |
InChI: | InChI=1S/C16H9F5N2/c17-11-4-1-9(2-5-11)15-12(8-22-23-15)10-3-6-14(18)13(7-10)16(19,20)21/h1-8H,(H,22,23) |
InChIKey: | MQERCRUBCCKCNG-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | FC(c1c(ccc(c1)c2cnnc2c3ccc(F)cc3)F)(F)F | OpenEye OEToolkits 1.9.2 | c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F | CACTVS 3.385 | Fc1ccc(cc1)c2[nH]ncc2c3ccc(F)c(c3)C(F)(F)F |
|
Name: | 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole |
ZINC: | ZINC000000027354 |