N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
Chemical Structure Depiction of
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
Compound characteristics
| Compound ID: | T001-1390 |
| Compound Name: | N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]but-2-ynamide |
| Molecular Weight: | 219.28 |
| Molecular Formula: | C12 H17 N3 O |
| Smiles: | CCn1c(C)c(CNC(C#CC)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3293 |
| logD: | 1.3293 |
| logSw: | -1.4026 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.988 |
| InChI Key: | ZDTNVMPRMLUCJJ-UHFFFAOYSA-N |