methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | 6228-1289 |
| Compound Name: | methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C13 H13 N3 O4 |
| Smiles: | Cc1ccc(Cn2c(cc(n2)[N+]([O-])=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9643 |
| logD: | 1.9643 |
| logSw: | -2.4409 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.216 |
| InChI Key: | DNFJIIVNICSFGM-UHFFFAOYSA-N |