PDB CCD ID: | 4DE |
Number of entries in BioLiP: | 2 |
Chemical formula: | C15 H18 N2 O3 |
InChI: | InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3 |
InChIKey: | ZDSXCFSUGVAQSB-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | O=C(OCC)c2c(nn(c1ccc(OC)cc1)c2C)C | CACTVS 3.341 | CCOC(=O)c1c(C)nn(c1C)c2ccc(OC)cc2 | OpenEye OEToolkits 1.5.0 | CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C |
|
Name: | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER |
ChEMBL: | CHEMBL1230268 |
DrugBank: | DB04469 |
ZINC: | ZINC000008729813 |