5-(azepane-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-(azepane-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
5-(azepane-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6249 |
| Compound Name: | 5-(azepane-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 251.28 |
| Molecular Formula: | C12 H17 N3 O3 |
| Smiles: | Cn1c(C(N2CCCCCC2)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1433 |
| logD: | -2.4315 |
| logSw: | -1.6006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.142 |
| InChI Key: | AFZVSRQSCVGWQB-UHFFFAOYSA-N |