1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole
TL;DR: 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole (CAS 156911-89-6) is a chemical compound with molecular formula C11H7Cl3N2O2 and molecular weight 303.9573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid
Also Known As: 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic Acid, 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole, 5-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylic Acid
Technical Specifications
| Molecular Formula | C11H7Cl3N2O2 |
| Molecular Weight | 303.9573 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.9573 Da |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| SMILES | CC1=C(C=NN1C2=C(C=C(C=C2Cl)Cl)Cl)C(=O)O |
| InChIKey | STHDKKAKTXAXJD-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole
Property Insights of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole
The XLogP value of 3.7 indicates that 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole has 1 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 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole?
The CAS number of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole is 156911-89-6.
What is the molecular formula of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole?
The molecular formula of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole is C11H7Cl3N2O2.
What is the molecular weight of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole?
The molecular weight of 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole is 303.9573 g/mol.
Where can I buy 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole?
You can request a quote for 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-(2,4,6-trichlorophenyl)-4-carboxy-5-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.