methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate
methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-1318 |
| Compound Name: | methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 324.13 |
| Molecular Formula: | C12 H10 Br N3 O3 |
| Smiles: | COC(c1cnn(C(c2ccccc2[Br])=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5557 |
| logD: | 1.5557 |
| logSw: | -2.0594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.924 |
| InChI Key: | BNRCUHBPRIQXSO-UHFFFAOYSA-N |