3-{[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-5788 |
| Compound Name: | 3-{[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 370.2 |
| Molecular Formula: | C13 H16 Br N5 O3 |
| Smiles: | Cc1c(cn(CCCNC(c2c(cn(C)n2)C(O)=O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.161 |
| logD: | -3.6146 |
| logSw: | -1.3255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.366 |
| InChI Key: | OEUQAOBGTTWQFP-UHFFFAOYSA-N |