5-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl](methyl)carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl](methyl)carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl](methyl)carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6203 |
| Compound Name: | 5-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl](methyl)carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 356.18 |
| Molecular Formula: | C12 H14 Br N5 O3 |
| Smiles: | CN(Cc1c(cnn1C)[Br])C(c1c(cnn1C)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0867 |
| logD: | -3.4881 |
| logSw: | -0.7415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.31 |
| InChI Key: | CTYHLBBAOMPXOF-UHFFFAOYSA-N |