4-(2,2-dicyanoethenyl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-(2,2-dicyanoethenyl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate
4-(2,2-dicyanoethenyl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-7175 |
| Compound Name: | 4-(2,2-dicyanoethenyl)phenyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 323.27 |
| Molecular Formula: | C15 H9 N5 O4 |
| Smiles: | Cn1cc(c(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.532 |
| logD: | 1.532 |
| logSw: | -1.7829 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 103.165 |
| InChI Key: | RZNJDYDBCKLSDV-UHFFFAOYSA-N |