3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
TL;DR: 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride (CAS 1239479-56-1) is a chemical compound with molecular formula C5H7ClN2O2S and molecular weight 193.99167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
Also Known As: 3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride, Pyrazole, 4-chlorosulfonyl-3,5-dimethyl-, (3,5-dimethylpyrazol-4-yl)chlorosulfone, 1H-Pyrazole-4-sulfonyl chloride, 3,5-dimethyl-, 1H-Pyrazole-4-sulfonylchloride, 3,5-dimethyl-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7ClN2O2S |
| Molecular Weight | 193.99167 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.99167 Da |
| Heavy Atoms | 11 |
| Complexity | 235.0 |
| SMILES | CC1=C(C(=NN1)C)S(=O)(=O)Cl |
| InChIKey | NBGSZCQLPLYKJH-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
Property Insights of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride. Following Lipinski's Rule of Five, 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride 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 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride?
The CAS number of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride is 1239479-56-1.
What is the molecular formula of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride?
The molecular formula of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride is C5H7ClN2O2S.
What is the molecular weight of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride?
The molecular weight of 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride is 193.99167 g/mol.
Where can I buy 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride?
You can request a quote for 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.