2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}acetamide
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | 8016-3398 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | Cc1c(c(C)n(CC(NCc2ccc(cc2)n2cccc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0913 |
| logD: | 2.0913 |
| logSw: | -2.6196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.757 |
| InChI Key: | XMWVYJNABHALIU-UHFFFAOYSA-N |