methyl 2-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate
methyl 2-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 6228-1172 |
| Compound Name: | methyl 2-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 338.16 |
| Molecular Formula: | C13 H12 Br N3 O3 |
| Smiles: | Cn1c(C(Nc2ccccc2C(=O)OC)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1247 |
| logD: | 0.9871 |
| logSw: | -2.8511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.321 |
| InChI Key: | XYYBJSKSSQHQGS-UHFFFAOYSA-N |