methyl 3-[(6-cyano-2H-1,3-benzodioxol-5-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-[(6-cyano-2H-1,3-benzodioxol-5-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
methyl 3-[(6-cyano-2H-1,3-benzodioxol-5-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | 8018-0943 |
| Compound Name: | methyl 3-[(6-cyano-2H-1,3-benzodioxol-5-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C15 H12 N4 O5 |
| Smiles: | Cn1c(cc(C(Nc2cc3c(cc2C#N)OCO3)=O)n1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.987 |
| logD: | 0.7023 |
| logSw: | -2.2033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.493 |
| InChI Key: | VHKXOHQHAZNWRI-UHFFFAOYSA-N |