4-ethynyl-1-methyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
4-ethynyl-1-methyl-1H-pyrazole-5-carboxylic acid
4-ethynyl-1-methyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-5380 |
| Compound Name: | 4-ethynyl-1-methyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 150.13 |
| Molecular Formula: | C7 H6 N2 O2 |
| Smiles: | Cn1c(C(O)=O)c(C#C)cn1 |
| Stereo: | ACHIRAL |
| logP: | -0.1685 |
| logD: | -4.7212 |
| logSw: | -0.6063 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.162 |
| InChI Key: | DCKSYSASJNLBEQ-UHFFFAOYSA-N |