Q7L
Summary
| Name: | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole |
| Formula: | C10 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 3-(1,3-benzodioxol-5-yl)-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc2OCOc12)c1cc[NH]n1 |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12) |
| InChIKey | InChI | 1.03 | LOPAFWMOCZGHFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Oc2ccc(cc2O1)c3cc[nH]n3 |
| SMILES | CACTVS | 3.385 | C1Oc2ccc(cc2O1)c3cc[nH]n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1c3cc[nH]n3)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1c3cc[nH]n3)OCO2 |
