methyl 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoate
methyl 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6228-1336 |
| Compound Name: | methyl 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C14 H15 N3 O4 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(=O)OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0629 |
| logD: | 2.0629 |
| logSw: | -2.4178 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.474 |
| InChI Key: | YNIXBSCDXCAGRO-UHFFFAOYSA-N |