(E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one
TL;DR: (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one (CAS 1005595-00-5) is a chemical compound with molecular formula C14H13FN2O and molecular weight 244.1012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Also Known As: (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one, 1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one, (2E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one, (2E)-1-(1-ethyl-1H-pyrazol-3-yl)-3-(4-fluorophenyl)-2-propen-1-one, (2E)-1-(1-ethyl-1H-pyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C14H13FN2O |
| Molecular Weight | 244.1012 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.1012 Da |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
| SMILES | CCN1C=CC(=N1)C(=O)/C=C/C2=CC=C(C=C2)F |
| InChIKey | KSMFHXJCWYCYGO-VMPITWQZSA-N |
Chemical Property Profile of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Property Insights of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one?
The CAS number of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one is 1005595-00-5.
What is the molecular formula of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one?
The molecular formula of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one is C14H13FN2O.
What is the molecular weight of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one?
The molecular weight of (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one is 244.1012 g/mol.
Where can I buy (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one?
You can request a quote for (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-(1-ethylpyrazol-3-yl)-3-(4-fluorophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.