methyl 4-ethynyl-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-ethynyl-1-methyl-1H-pyrazole-5-carboxylate
methyl 4-ethynyl-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y507-5381 |
| Compound Name: | methyl 4-ethynyl-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 164.16 |
| Molecular Formula: | C8 H8 N2 O2 |
| Smiles: | Cn1c(C(=O)OC)c(C#C)cn1 |
| Stereo: | ACHIRAL |
| logP: | 0.5661 |
| logD: | 0.5661 |
| logSw: | -0.7269 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.928 |
| InChI Key: | GIWHPAMRFXTRDO-UHFFFAOYSA-N |