1-ethyl-N-(4-iodophenyl)-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-ethyl-N-(4-iodophenyl)-4-nitro-1H-pyrazole-5-carboxamide
1-ethyl-N-(4-iodophenyl)-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-1145 |
| Compound Name: | 1-ethyl-N-(4-iodophenyl)-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 386.15 |
| Molecular Formula: | C12 H11 I N4 O3 |
| Smiles: | CCn1c(C(Nc2ccc(cc2)I)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1157 |
| logD: | 2.5078 |
| logSw: | -3.4518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.365 |
| InChI Key: | TXERWSYVFFKGHI-UHFFFAOYSA-N |