37D
Summary
| Name: | methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate |
| Formula: | C10 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate |
| OpenEye OEToolkits | 1.5.0 | methyl 3-(furan-2-yl)-5-methyl-2H-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)c2c(nnc2c1occc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1c(C)n[nH]c1c2occc2 |
| SMILES | CACTVS | 3.341 | COC(=O)c1c(C)n[nH]c1c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c([nH]n1)c2ccco2)C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c([nH]n1)c2ccco2)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | QIPOGDVPLFLWHT-UHFFFAOYSA-N |
