methyl 1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
methyl 1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y507-3955 |
| Compound Name: | methyl 1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C13 H13 N3 O4 |
| Smiles: | Cc1cccc(Cn2cc(C(=O)OC)c(n2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4609 |
| logD: | 2.4609 |
| logSw: | -2.5833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.008 |
| InChI Key: | ZJCYOKRRTMTKCU-UHFFFAOYSA-N |