[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl](3-nitrophenyl)methanone
[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | G680-0295 |
| Compound Name: | [3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C16 H18 N4 O5 S |
| Smiles: | Cc1c(c(C)n(C(c2cccc(c2)[N+]([O-])=O)=O)n1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1788 |
| logD: | 1.1788 |
| logSw: | -2.3792 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.311 |
| InChI Key: | IXJSFTWFEHSQIB-UHFFFAOYSA-N |