N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y509-0806 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 308.72 |
| Molecular Formula: | C13 H13 Cl N4 O3 |
| Smiles: | CCn1c(C(NCc2ccc(cc2)[Cl])=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0911 |
| logD: | 2.0733 |
| logSw: | -2.9913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.687 |
| InChI Key: | MYJCYOUKXMUKGJ-UHFFFAOYSA-N |