methyl 2-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzoate
methyl 2-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y501-2378 |
| Compound Name: | methyl 2-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | CCn1cc(c(C(Nc2ccccc2C(=O)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7066 |
| logD: | -0.0371 |
| logSw: | -2.4317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.935 |
| InChI Key: | HXTGZYKCSPOAEE-UHFFFAOYSA-N |