3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole (CAS 161038-58-0) is a chemical compound with molecular formula C5H3ClF3N3O2 and molecular weight 228.98659 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1-methyl-4-nitro-5-(trifluoromethyl)pyrazole
Also Known As: 3-CHLORO-1-METHYL-4-NITRO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE, 3-chloro-1-methyl-4-nitro-5-(trifluoromethyl)pyrazole
Technical Specifications
| Molecular Formula | C5H3ClF3N3O2 |
| Molecular Weight | 228.98659 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.98659 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | CN1C(=C(C(=N1)Cl)[N+](=O)[O-])C(F)(F)F |
| InChIKey | FLHJFSYGFJOUGD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 6 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-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole is 161038-58-0.
What is the molecular formula of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole is C5H3ClF3N3O2.
What is the molecular weight of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole is 228.98659 g/mol.
Where can I buy 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-1-methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.