3,4-dimethyl-5-nitropyrano[2,3-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
3,4-dimethyl-5-nitropyrano[2,3-c]pyrazol-6(1H)-one
3,4-dimethyl-5-nitropyrano[2,3-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | 8016-4420 |
| Compound Name: | 3,4-dimethyl-5-nitropyrano[2,3-c]pyrazol-6(1H)-one |
| Molecular Weight: | 209.16 |
| Molecular Formula: | C8 H7 N3 O4 |
| Smiles: | CC1=C(C(=O)Oc2c1c(C)n[nH]2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5918 |
| logD: | 0.591 |
| logSw: | -0.8337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.717 |
| InChI Key: | JKHKLFLRDZLKSQ-UHFFFAOYSA-N |