V5K
Summary
| Name: | propan-2-yl 1~{H}-pyrazole-3-carboxylate |
| Formula: | C7 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 154.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | propan-2-yl 1~{H}-pyrazole-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9) |
| InChIKey | InChI | 1.06 | CBQRTLFASQYWAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | CC(C)OC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OC(=O)c1cc[nH]n1 |
