N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8013-7265 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 357.33 |
| Molecular Formula: | C15 H15 N7 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.127 |
| logD: | -0.1683 |
| logSw: | -1.7303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.165 |
| InChI Key: | QHIFGTLTQNZTIO-UHFFFAOYSA-N |