1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylethan-1-one
Chemical Structure Depiction of
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylethan-1-one
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylethan-1-one
Compound characteristics
| Compound ID: | 8009-5644 |
| Compound Name: | 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylethan-1-one |
| Molecular Weight: | 293.16 |
| Molecular Formula: | C13 H13 Br N2 O |
| Smiles: | Cc1c(c(C)n(C(Cc2ccccc2)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.4008 |
| logD: | 2.3924 |
| logSw: | -2.3323 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.3248 |
| InChI Key: | TVSLGNRCZRTTNZ-UHFFFAOYSA-N |