TL;DR: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one (CAS 1005612-46-3) is a chemical compound with molecular formula C14H11ClF2N2O2 and molecular weight 312.0477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one
Also Known As: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one, (2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]-2-propen-1-one, (2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one, 1-(4-chloro-1-methyl-pyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one, (E)-1-(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)-3-[2-(DIFLUOROMETHOXY)PHENYL]-2-PROPEN-1-ONE
| Molecular Formula | C14H11ClF2N2O2 |
| Molecular Weight | 312.0477 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0477 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | CN1C=C(C(=N1)C(=O)/C=C/C2=CC=CC=C2OC(F)F)Cl |
| InChIKey | JOZADWKSARDVIL-VOTSOKGWSA-N |
The XLogP value of 3.9 indicates that (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one is 1005612-46-3.
The molecular formula of (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one is C14H11ClF2N2O2.
The molecular weight of (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one is 312.0477 g/mol.
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