3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
TL;DR: 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one (CAS 544411-61-2) is a chemical compound with molecular formula C12H9ClN2O and molecular weight 232.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
Also Known As: 1-[3-(2-chlorophenyl)acryloyl]-1H-pyrazole, 3-(2-chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
Technical Specifications
| Molecular Formula | C12H9ClN2O |
| Molecular Weight | 232.04034 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.04034 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | C1=CC=C(C(=C1)C=CC(=O)N2C=CC=N2)Cl |
| InChIKey | MTIBBBMXPDAIDL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
Property Insights of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one?
The CAS number of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one is 544411-61-2.
What is the molecular formula of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one?
The molecular formula of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one is C12H9ClN2O.
What is the molecular weight of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one?
The molecular weight of 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one is 232.04034 g/mol.
Where can I buy 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one?
You can request a quote for 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.