methyl 3-nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylate
methyl 3-nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y507-3880 |
| Compound Name: | methyl 3-nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 213.19 |
| Molecular Formula: | C8 H11 N3 O4 |
| Smiles: | CC(C)n1c(cc(n1)[N+]([O-])=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.9599 |
| logD: | 0.9599 |
| logSw: | -1.3006 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.955 |
| InChI Key: | VLLKLJXBWLORSD-UHFFFAOYSA-N |