1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 8016-0020 |
| Compound Name: | 1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one |
| Molecular Weight: | 403.18 |
| Molecular Formula: | C12 H14 I N5 O3 |
| Smiles: | Cc1c(c(C)n(C(CCCn2cc(cn2)[N+]([O-])=O)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 0.4665 |
| logD: | 0.4665 |
| logSw: | -0.7084 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.462 |
| InChI Key: | LBSIWJDTJGFYOO-UHFFFAOYSA-N |