2-(benzylamino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
2-(benzylamino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
2-(benzylamino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y504-5104 |
| Compound Name: | 2-(benzylamino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 307.73 |
| Molecular Formula: | C14 H14 Cl N3 O3 |
| Smiles: | Cn1cc(c(C(=O)OCC(NCc2ccccc2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.1671 |
| logD: | 1.1671 |
| logSw: | -2.4009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.923 |
| InChI Key: | HOSSSPVBNWJWLE-UHFFFAOYSA-N |