DEE
Summary
| Name: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER |
| Formula: | C8 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate |
| OpenEye OEToolkits | 1.5.0 | ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC)c1c(nnc1C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1c(C)[nH]nc1C |
| SMILES | CACTVS | 3.341 | CCOC(=O)c1c(C)[nH]nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1c([nH]nc1C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1c([nH]nc1C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10) |
| InChIKey | InChI | 1.03 | BCKARVLFIJPHQU-UHFFFAOYSA-N |
