![1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one structure](/static/products/1005/1005696-52-5.webp)
1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
TL;DR: 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one (CAS 1005696-52-5) is a chemical compound with molecular formula C16H16F2N2O2 and molecular weight 306.11798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(difluoromethoxy)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
Also Known As: 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one, 1-[3-(difluoromethoxy)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one, 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C16H16F2N2O2 |
| Molecular Weight | 306.11798 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.11798 Da |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| SMILES | CC1=C(C(=NN1C)C)C=CC(=O)C2=CC(=CC=C2)OC(F)F |
| InChIKey | WIJXPKCFSGPGPO-UHFFFAOYSA-N |
Chemical Property Profile of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
Property Insights of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
The XLogP value of 3.7 indicates that 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-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, 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-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.
Frequently Asked Questions
What is the CAS number of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one?
The CAS number of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one is 1005696-52-5.
What is the molecular formula of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one?
The molecular formula of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one is C16H16F2N2O2.
What is the molecular weight of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one?
The molecular weight of 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one is 306.11798 g/mol.
Where can I buy 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one?
You can request a quote for 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one?
Yes, CoreyChem provides custom synthesis services for 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.