BBY
Summary
| Name: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine |
| Formula: | C11 H10 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 296.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 1.7.0 | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(cc2OCOc12)c3cc(nn3C)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1nc(N)cc1c2cc(Br)c3OCOc3c2 |
| SMILES | CACTVS | 3.370 | Cn1nc(N)cc1c2cc(Br)c3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3 |
| InChI | InChI | 1.03 | InChI=1S/C11H10BrN3O2/c1-15-8(4-10(13)14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5H2,1H3,(H2,13,14) |
| InChIKey | InChI | 1.03 | OZBMCGHXSVNTHG-UHFFFAOYSA-N |
