1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium--iodide (1/1)
Chemical Structure Depiction of
1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium--iodide (1/1)
1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-0490 |
| Compound Name: | 1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium--iodide (1/1) |
| Molecular Weight: | 376.19 |
| Molecular Formula: | C13 H17 N2 O3 |
| Salt: | I- |
| Smiles: | Cc1cc(C)[n+](C)n1Cc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.7415 |
| logD: | 1.7415 |
| logSw: | -2.0853 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.397 |
| InChI Key: | QMLCZZGLTMCTOV-UHFFFAOYSA-N |