methyl 3-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
methyl 3-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | D522-0399 |
Compound Name: | methyl 3-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}benzoate |
Molecular Weight: | 361.71 |
Molecular Formula: | C14 H11 Cl F3 N3 O3 |
Smiles: | Cn1c(c(c(C(Nc2cccc(c2)C(=O)OC)=O)n1)[Cl])C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 3.2062 |
logD: | 3.206 |
logSw: | -4.0867 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.566 |
InChI Key: | GTMSRNZJHOODEG-UHFFFAOYSA-N |