N-[4-(cyanomethyl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
N-[4-(cyanomethyl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 8013-2533 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 240.26 |
| Molecular Formula: | C13 H12 N4 O |
| Smiles: | Cn1c(ccn1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8254 |
| logD: | 0.8253 |
| logSw: | -1.8218 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.472 |
| InChI Key: | NNAQCTFXKZJAKD-UHFFFAOYSA-N |