4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
Compound characteristics
| Compound ID: | Y502-9834 |
| Compound Name: | 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)-1H-pyrazol-4-yl]benzamide |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C23 H27 N7 O5 |
| Smiles: | CCn1c(C(N2CCOCC2)=O)c(cn1)NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7477 |
| logD: | -0.8923 |
| logSw: | -2.1233 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.205 |
| InChI Key: | XMTXITGJRRZFHI-UHFFFAOYSA-N |