3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole
TL;DR: 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole (CAS 321998-14-5) is a chemical compound with molecular formula C5H5ClF2N2 and molecular weight 166.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole
Also Known As: 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole, 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole, 3-(Chloro-difluoro-methyl)-5-methyl-1H-pyrazole, 3-(chlorodifluoromethyl)-5-methylpyrazole, methyl 1-boc-4-amino-4-piperidinecarboxylate
| Molecular Formula | C5H5ClF2N2 |
|---|---|
| Molecular Weight | 166.01 g/mol |
| LogP | 2.00622 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.01093 |
| Heavy Atoms | 10 |
| Complexity | 227.79698 |
Chemical Identifiers
| CAS Number | 321998-14-5 |
|---|---|
| SMILES | CC1=CC(=NN1)C(F)(F)Cl |
Product Overview
3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole (CAS 321998-14-5), with molecular formula C5H5ClF2N2 and molecular weight 166.01 g/mol. IUPAC: 3-[chloro(difluoro)methyl]-5-methyl-1H-pyrazole.
Chemical Property Profile of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole
Property Insights of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole
The XLogP value of 2.00622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.68 Ų, 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole?
The CAS number of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole is 321998-14-5.
What is the molecular formula of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole?
The molecular formula of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole is C5H5ClF2N2.
What is the molecular weight of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole?
The molecular weight of 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole is 166.01 g/mol.
Where can I buy 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole?
You can request a quote for 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chlorodifluoromethyl)-5-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.