3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y504-7862 |
| Compound Name: | 3-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CCn1c(C)c(CN2CCN(CC2)C(C2C3CC(C=C3)C2C(O)=O)=O)cn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7426 |
| logD: | 0.7426 |
| logSw: | -0.8906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.605 |
| InChI Key: | XPLZUXSFYCOSQE-UHFFFAOYSA-N |