methyl 4-bromo-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-bromo-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
methyl 4-bromo-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | IB06-3013 |
| Compound Name: | methyl 4-bromo-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 275.14 |
| Molecular Formula: | C10 H15 Br N2 O2 |
| Smiles: | CC(C)Cc1c(c(C(=O)OC)n(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.46 |
| logD: | 2.46 |
| logSw: | -2.8 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 56.37 |
| InChI Key: | XHDWWADDMIEMNM-UHFFFAOYSA-N |