3-methyl-1-propyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-methyl-1-propyl-1H-pyrazole-4-carboxylic acid
3-methyl-1-propyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1097 |
| Compound Name: | 3-methyl-1-propyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 168.19 |
| Molecular Formula: | C8 H12 N2 O2 |
| Smiles: | CCCn1cc(C(O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1137 |
| logD: | -1.9995 |
| logSw: | -1.5614 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.755 |
| InChI Key: | VXCAGHJDPUBMKC-UHFFFAOYSA-N |