RKV
Summary
| Name: | 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid |
| Formula: | C9 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 192.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(furan-2-yl)-2-methyl-pyrazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(n(nc1c2ccco2)C)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2O3/c1-11-7(9(12)13)5-6(10-11)8-3-2-4-14-8/h2-5H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | MOPCEJWYTICWJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1C(O)=O)c2occc2 |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1C(O)=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2ccco2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2ccco2)C(=O)O |
