EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H17N3O2 |
| Net Charge | 0 |
| Average Mass | 259.309 |
| Monoisotopic Mass | 259.13208 |
| SMILES | [H]c1c([H])c(-n2nc(C([H])([H])[H])c(C(=O)OC([H])([H])C([H])([H])[H])c2C([H])([H])[H])c([H])c([H])c1N([H])[H] |
| InChI | InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3 |
| InChIKey | FIEYZIRYXYDMSK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER (CHEBI:40090) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | PDBeChem |
| ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 5DE | PDBeChem |