A1BQ8
Summary
| Name: | 1-(oxetan-3-yl)-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine |
| Formula: | C15 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 257.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(oxetan-3-yl)-N-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 3.1.0.0 | 1-(oxetan-3-yl)-~{N}-(2,4,6-trimethylphenyl)pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(C)cc(C)c1Nc1ccn(n1)C1COC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H19N3O/c1-10-6-11(2)15(12(3)7-10)16-14-4-5-18(17-14)13-8-19-9-13/h4-7,13H,8-9H2,1-3H3,(H,16,17) |
| InChIKey | InChI | 1.06 | BNONJNCLVIRUCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(Nc2ccn(n2)C3COC3)c(C)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(Nc2ccn(n2)C3COC3)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(c(c1)C)Nc2ccn(n2)C3COC3)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(c(c(c1)C)Nc2ccn(n2)C3COC3)C |
