1-[4-(2-methylpropyl)benzene-1-sulfonyl]-4-nitro-1H-pyrazole
Chemical Structure Depiction of
1-[4-(2-methylpropyl)benzene-1-sulfonyl]-4-nitro-1H-pyrazole
1-[4-(2-methylpropyl)benzene-1-sulfonyl]-4-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | C085-2005 |
| Compound Name: | 1-[4-(2-methylpropyl)benzene-1-sulfonyl]-4-nitro-1H-pyrazole |
| Molecular Weight: | 309.34 |
| Molecular Formula: | C13 H15 N3 O4 S |
| Smiles: | CC(C)Cc1ccc(cc1)S(n1cc(cn1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9299 |
| logD: | 2.9299 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.338 |
| InChI Key: | XRJQIEIPCQTSHI-UHFFFAOYSA-N |