methyl 3-[(4-cyanophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-cyanophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
methyl 3-[(4-cyanophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-0942 |
| Compound Name: | methyl 3-[(4-cyanophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 284.27 |
| Molecular Formula: | C14 H12 N4 O3 |
| Smiles: | Cn1c(cc(C(Nc2ccc(C#N)cc2)=O)n1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.0365 |
| logD: | 1.0302 |
| logSw: | -2.0661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.076 |
| InChI Key: | JEOGVXJROPPVCK-UHFFFAOYSA-N |