1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 8017-0447 |
| Compound Name: | 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one |
| Molecular Weight: | 339.78 |
| Molecular Formula: | C14 H18 Cl N5 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(n2c(C)c(c(C)n2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9738 |
| logD: | 0.9738 |
| logSw: | -2.4659 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.636 |
| InChI Key: | YLPZOGKRHUXLMB-UHFFFAOYSA-N |