4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)butan-1-one
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | 8016-9534 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)butan-1-one |
| Molecular Weight: | 403.18 |
| Molecular Formula: | C12 H14 I N5 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(n2cc(cn2)I)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.006 |
| logD: | 1.006 |
| logSw: | -1.2291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.576 |
| InChI Key: | GHWSLQWAXGDTQG-UHFFFAOYSA-N |