1,4-dimethyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1,4-dimethyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1,4-dimethyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V023-2610 |
| Compound Name: | 1,4-dimethyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C20 H27 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1c(C)c(n(C)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4136 |
| logD: | 2.4136 |
| logSw: | -3.0002 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.765 |
| InChI Key: | BPSOCYHCBYRYHA-UHFFFAOYSA-N |