methyl 4-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate
methyl 4-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 3448-5364 |
| Compound Name: | methyl 4-[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 338.16 |
| Molecular Formula: | C13 H12 Br N3 O3 |
| Smiles: | Cn1c(C(Nc2ccc(cc2)C(=O)OC)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.2926 |
| logD: | 2.2604 |
| logSw: | -2.834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.019 |
| InChI Key: | NEHZGAPLAZOTFP-UHFFFAOYSA-N |