EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20FN5O |
| Net Charge | 0 |
| Average Mass | 329.379 |
| Monoisotopic Mass | 329.16519 |
| SMILES | COc1ccc(-c2nncc2CNCc2cc(C)n(C)n2)c(F)c1 |
| InChI | InChI=1S/C17H20FN5O/c1-11-6-13(22-23(11)2)10-19-8-12-9-20-21-17(12)15-5-4-14(24-3)7-16(15)18/h4-7,9,19H,8,10H2,1-3H3,(H,20,21) |
| InChIKey | CWLGSQYVYJTBPN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine (CHEBI:112875) is a pyrazoles (CHEBI:26410) |
| 1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine (CHEBI:112875) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24285 | LINCS |