833
Summary
| Name: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine |
| Formula: | C11 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 217.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 1.7.0 | 5-(1,3-benzodioxol-5-yl)-2-methyl-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c2ccc(cc2OC1)c3nn(c(N)c3)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1nc(cc1N)c2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.370 | Cn1nc(cc1N)c2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1c(cc(n1)c2ccc3c(c2)OCO3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cn1c(cc(n1)c2ccc3c(c2)OCO3)N |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O2/c1-14-11(12)5-8(13-14)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6,12H2,1H3 |
| InChIKey | InChI | 1.03 | AHTNDUQVQKCVGH-UHFFFAOYSA-N |
