3-(4-{[4-(methoxycarbonyl)phenyl]methyl}piperazine-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(4-{[4-(methoxycarbonyl)phenyl]methyl}piperazine-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-(4-{[4-(methoxycarbonyl)phenyl]methyl}piperazine-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8411 |
| Compound Name: | 3-(4-{[4-(methoxycarbonyl)phenyl]methyl}piperazine-1-carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C19 H22 N4 O5 |
| Smiles: | Cn1cc(C(O)=O)c(C(N2CCN(CC2)Cc2ccc(cc2)C(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.8503 |
| logD: | -2.7245 |
| logSw: | -1.9 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.365 |
| InChI Key: | KSLILZDZPSPVRG-UHFFFAOYSA-N |