methyl 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
methyl 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
Compound ID: | 6228-2579 |
Compound Name: | methyl 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate |
Molecular Weight: | 278.74 |
Molecular Formula: | C14 H15 Cl N2 O2 |
Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(=O)OC)n1)[Cl] |
Stereo: | ACHIRAL |
logP: | 2.7589 |
logD: | 2.7589 |
logSw: | -3.6993 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 35.694 |
InChI Key: | JBDVAISTHSBFHA-UHFFFAOYSA-N |