W1V
Summary
| Name: | 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
| Formula: | C8 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 167.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(1,3,5-trimethylpyrazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1(C)nc(c(CC(N)=O)c1C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12) |
| InChIKey | InChI | 1.03 | JQSGNNVZAVLVHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(CC(N)=O)c1C |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c(CC(N)=O)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n(n1)C)C)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n(n1)C)C)CC(=O)N |
