3-(cyclododecylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(cyclododecylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-(cyclododecylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8206 |
| Compound Name: | 3-(cyclododecylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C18 H29 N3 O3 |
| Smiles: | Cn1cc(C(O)=O)c(C(NC2CCCCCCCCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1545 |
| logD: | 0.3788 |
| logSw: | -4.0198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.472 |
| InChI Key: | GBCMJNCUSJNBNZ-UHFFFAOYSA-N |