EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21FN4O2 |
| Net Charge | 0 |
| Average Mass | 380.423 |
| Monoisotopic Mass | 380.16485 |
| SMILES | [H]c1nn(-c2c([H])c([H])c(F)c([H])c2[H])c(N([H])[H])c1C(=O)c1c([H])c([H])c([H])c(OC2([H])C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])c1[H] |
| InChI | InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2 |
| InChIKey | QKZZJXRGCHXIAI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone (CHEBI:45007) is a organofluorine compound (CHEBI:37143) |
| [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone (CHEBI:45007) is a piperidines (CHEBI:26151) |
| [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone (CHEBI:45007) is a pyrazoles (CHEBI:26410) |
| Synonyms | Source |
|---|---|
| [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | PDBeChem |
| [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| PQA | PDBeChem |