methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6228-1279 |
| Compound Name: | methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C13 H13 N3 O4 |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1)C(=O)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9096 |
| logD: | 1.9096 |
| logSw: | -2.3722 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.186 |
| InChI Key: | FOVJSTWURUAITC-UHFFFAOYSA-N |