1,3-dimethyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1,3-dimethyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide
1,3-dimethyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-7768 |
| Compound Name: | 1,3-dimethyl-N-[2-(methylsulfanyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | Cc1c(c(C(Nc2ccccc2SC)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7444 |
| logD: | 1.7174 |
| logSw: | -2.3609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.28 |
| InChI Key: | XUVGADXLFRJUER-UHFFFAOYSA-N |