2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
Compound characteristics
| Compound ID: | K061-0126 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide |
| Molecular Weight: | 290.28 |
| Molecular Formula: | C13 H14 N4 O4 |
| Smiles: | Cc1c(c(C)n(CC(Nc2cccc(c2)O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0832 |
| logD: | 1.0762 |
| logSw: | -2.0374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.066 |
| InChI Key: | XLADKHBPWDMSJZ-UHFFFAOYSA-N |