TL;DR: (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 1005647-45-9) is a chemical compound with molecular formula C15H14F2N2O2 and molecular weight 292.10233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one, F3412-0108, (E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one, (E)-1-(3-(difluoromethoxy)phenyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one, 1-(3-(Difluoromethoxy)phenyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
| Molecular Formula | C15H14F2N2O2 |
| Molecular Weight | 292.10233 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.10233 Da |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
| SMILES | CC1=C(C=NN1C)/C=C/C(=O)C2=CC(=CC=C2)OC(F)F |
| InChIKey | NTYWQTLMIYKARK-VOTSOKGWSA-N |
The XLogP value of 3.3 indicates that (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)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, (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)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 (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is 1005647-45-9.
The molecular formula of (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is C15H14F2N2O2.
The molecular weight of (2E)-1-[3-(difluoromethoxy)phenyl]-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one is 292.10233 g/mol.
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