methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)-1H-pyrazole-4-carboxylate
methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-1312 |
| Compound Name: | methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 354.16 |
| Molecular Formula: | C13 H12 Br N3 O4 |
| Smiles: | COC(c1cnn(C(c2cc(ccc2[Br])OC)=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8494 |
| logD: | 1.8494 |
| logSw: | -2.4036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.468 |
| InChI Key: | DTKQJXWLIUBVTC-UHFFFAOYSA-N |