4-bromo-N,N-di(butan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N,N-di(butan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
4-bromo-N,N-di(butan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y509-0036 |
| Compound Name: | 4-bromo-N,N-di(butan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 316.24 |
| Molecular Formula: | C13 H22 Br N3 O |
| Smiles: | CCC(C)N(C(C)CC)C(c1c(cn(C)n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8771 |
| logD: | 2.8771 |
| logSw: | -2.8902 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.8411 |
| InChI Key: | XOYCPYJCULUQDJ-UHFFFAOYSA-N |