methyl N-[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-L-alaninate
Chemical Structure Depiction of
methyl N-[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-L-alaninate
methyl N-[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-L-alaninate
Compound characteristics
| Compound ID: | Y043-2093 |
| Compound Name: | methyl N-[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-L-alaninate |
| Molecular Weight: | 390.8 |
| Molecular Formula: | C18 H16 Cl F N4 O3 |
| Smiles: | C[C@@H](C(=O)OC)NC(c1cnn(c2cc(ccc2[Cl])F)c1n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8159 |
| logD: | 3.8159 |
| logSw: | -4.3189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.816 |
| InChI Key: | YGRITGMEXQFKAN-NSHDSACASA-N |