1,5-dimethyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1,5-dimethyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1,5-dimethyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1996 |
| Compound Name: | 1,5-dimethyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C13 H14 N4 O3 |
| Smiles: | Cc1cccc(c1)NC(c1c(c(C)n(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0486 |
| logD: | 2.0473 |
| logSw: | -2.7097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.142 |
| InChI Key: | WKYALQFCJPTYIS-UHFFFAOYSA-N |