N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-7787 |
| Compound Name: | N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C18 H20 N6 O3 |
| Smiles: | Cc1cc(C)n(Cc2ccc(cc2)NC(c2c(c(C)nn2C)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.2793 |
| logD: | 1.2604 |
| logSw: | -2.4361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.714 |
| InChI Key: | IQONDRRSCZJQFY-UHFFFAOYSA-N |