1-ethyl-4-nitro-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-4-nitro-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1H-pyrazole-3-carboxamide
1-ethyl-4-nitro-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0446 |
| Compound Name: | 1-ethyl-4-nitro-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | CCn1cc(c(C(NCc2ccc(cc2)n2cccc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1888 |
| logD: | 2.1884 |
| logSw: | -2.432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.767 |
| InChI Key: | CKJFWYXJTVGSIZ-UHFFFAOYSA-N |