A1I2T
Summary
| Name: | methyl 3,5-dimethyl-1~{H}-pyrazole-4-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 | methyl 3,5-dimethyl-1~{H}-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H10N2O2/c1-4-6(7(10)11-3)5(2)9-8-4/h1-3H3,(H,8,9) |
| InChIKey | InChI | 1.06 | HYULAOVKUFWMCB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(C)[nH]nc1C |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(C)[nH]nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)C(=O)OC |
