methyl 1-[2-(dimethylamino)-2-oxoethyl]-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(dimethylamino)-2-oxoethyl]-3-nitro-1H-pyrazole-5-carboxylate
methyl 1-[2-(dimethylamino)-2-oxoethyl]-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y507-3773 |
| Compound Name: | methyl 1-[2-(dimethylamino)-2-oxoethyl]-3-nitro-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 256.21 |
| Molecular Formula: | C9 H12 N4 O5 |
| Smiles: | CN(C)C(Cn1c(cc(n1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | -1.0402 |
| logD: | -1.0402 |
| logSw: | -0.8409 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.96 |
| InChI Key: | BNVFSUIYDNSCPJ-UHFFFAOYSA-N |