TL;DR: ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate (CAS 1006481-95-3) is a chemical compound with molecular formula C15H16FN3O3 and molecular weight 305.11758 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate
Also Known As: ethyl 2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(N-hydroxyimino)acetate, ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate, ethyl2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(N-hydroxyimino)acetate, G32957
| Molecular Formula | C15H16FN3O3 |
| Molecular Weight | 305.11758 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.11758 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | CCOC(=O)/C(=N/O)/C1=C(N(N=C1C)C2=CC=C(C=C2)F)C |
| InChIKey | QZLRGQORTLZBCZ-NBVRZTHBSA-N |
The XLogP value of 3.7 indicates that ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate. Following Lipinski's Rule of Five, ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate is 1006481-95-3.
The molecular formula of ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate is C15H16FN3O3.
The molecular weight of ethyl (2E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-hydroxyiminoacetate is 305.11758 g/mol.
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