4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole
TL;DR: 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole (CAS 116425-29-7) is a chemical compound with molecular formula C14H11Cl3N2O and molecular weight 327.99368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole
Also Known As: 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole, 5-Thiazolebutanoic acid,2,3-dihydro-2-thioxo, 1H-Pyrazole, 4-chloro-1-(2,4-dichloro-5-(2-propyn-1-yloxy)phenyl)-3,5-dimethyl-, 4-chloro-1-[2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl]-3,5-dimethyl-1h-pyrazole, 4-Chloro-1-(2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl)-3,5-dimethyl-1H-pyrazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H11Cl3N2O |
| Molecular Weight | 327.99368 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.99368 Da |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
| SMILES | CC1=C(C(=NN1C2=CC(=C(C=C2Cl)Cl)OCC#C)C)Cl |
| InChIKey | SQQSEAAIRBSLPF-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole
Property Insights of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole
The XLogP value of 4.7 indicates that 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole 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 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole?
The CAS number of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole is 116425-29-7.
What is the molecular formula of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole?
The molecular formula of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole is C14H11Cl3N2O.
What is the molecular weight of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole?
The molecular weight of 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole is 327.99368 g/mol.
Where can I buy 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole?
You can request a quote for 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.