TL;DR: Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- (CAS 13241-78-6) is a chemical compound with molecular formula C13H12Cl2N2O2 and molecular weight 298.0276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: Tomacon, 3,5-Dimethylpyrazol, 3,5-Dimethylpyrazol [German], 1-(2,4-Dichlorophenoxyacetyl)-3,5-dimethyl pyrazole, Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H12Cl2N2O2 |
| Molecular Weight | 298.0276 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0276 Da |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
| SMILES | CC1=CC(=NN1C(=O)COC2=C(C=C(C=C2)Cl)Cl)C |
| InChIKey | WGEUSFXLHJRECP-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- is 13241-78-6.
The molecular formula of Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- is C13H12Cl2N2O2.
The molecular weight of Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl- is 298.0276 g/mol.
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