EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:113208 - 3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester
| Formula | C14H16ClN3O2 |
| Net Charge | 0 |
| Average Mass | 293.754 |
| Monoisotopic Mass | 293.09310 |
| SMILES | CCOC(=O)CCn1nc(-c2ccc(Cl)cc2)cc1N |
| InChI | InChI=1S/C14H16ClN3O2/c1-2-20-14(19)7-8-18-13(16)9-12(17-18)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,16H2,1H3 |
| InChIKey | VEUBUUBOAJQCEE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester (CHEBI:113208) is a pyrazoles (CHEBI:26410) |
| 3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester (CHEBI:113208) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24619 | LINCS |