1-[4-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[4-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propan-1-one
1-[4-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y502-9700 |
| Compound Name: | 1-[4-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C17 H25 N7 O5 S |
| Smiles: | CCn1cc(c(C)n1)S(N1CCN(CC1)C(CCn1c(C)c(cn1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6464 |
| logD: | -0.6464 |
| logSw: | -1.2969 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 109.992 |
| InChI Key: | HAEBINNAJIETQB-UHFFFAOYSA-N |