1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one
Chemical Structure Depiction of
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one
Compound characteristics
| Compound ID: | Y205-8289 |
| Compound Name: | 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C16 H19 N3 O4 |
| Smiles: | CCC(C(n1c(C)cc(C)n1)=O)Oc1ccc(c(C)c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7985 |
| logD: | 2.7985 |
| logSw: | -3.131 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.059 |
| InChI Key: | TZPVEFKKEXTLOQ-HNNXBMFYSA-N |