N-[4-(cyanomethyl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
N-[4-(cyanomethyl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | 8013-2521 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 268.32 |
| Molecular Formula: | C15 H16 N4 O |
| Smiles: | CCn1cc(C(Nc2ccc(CC#N)cc2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.2616 |
| logD: | 1.2615 |
| logSw: | -2.2483 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.676 |
| InChI Key: | OFYOBMMUAYQBPM-UHFFFAOYSA-N |