N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]but-2-ynamide
Chemical Structure Depiction of
N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]but-2-ynamide
N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]but-2-ynamide
Compound characteristics
| Compound ID: | T001-1405 |
| Compound Name: | N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]but-2-ynamide |
| Molecular Weight: | 219.28 |
| Molecular Formula: | C12 H17 N3 O |
| Smiles: | CC#CC(NCCc1c(C)nn(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6102 |
| logD: | 0.6098 |
| logSw: | -0.5258 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.391 |
| InChI Key: | IDTKIOKOVRJRHO-UHFFFAOYSA-N |