3-tert-butyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
3-tert-butyl-1H-pyrazole-5-carboxylic acid
3-tert-butyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | R052-2023 |
| Compound Name: | 3-tert-butyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 168.19 |
| Molecular Formula: | C8 H12 N2 O2 |
| Smiles: | CC(C)(C)c1cc(C(O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5835 |
| logD: | -1.8686 |
| logSw: | -1.7753 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.408 |
| InChI Key: | RQRWZFJMPKHYIC-UHFFFAOYSA-N |