4-nitro-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 4-nitro-5-(trifluoromethyl)-1H-pyrazole (CAS 1046462-99-0) is a chemical compound with molecular formula C4H2F3N3O2 and molecular weight 181.00992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 4-nitro-5-(trifluoromethyl)-1H-pyrazole, 4-Nitro-5-trifluoromethyl-1H-pyrazole, 4-nitro-3-(trifluoromethyl)-1H-pyrazole, 4-nitro-5-(trifluoromethyl)pyrazole, 4CH-004171
Technical Specifications
| Molecular Formula | C4H2F3N3O2 |
| Molecular Weight | 181.00992 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00992 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | C1=NNC(=C1[N+](=O)[O-])C(F)(F)F |
| InChIKey | FFTRSILXQBIOTB-UHFFFAOYSA-N |
Chemical Property Profile of 4-nitro-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 4-nitro-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-5-(trifluoromethyl)-1H-pyrazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-5-(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 4-nitro-5-(trifluoromethyl)-1H-pyrazole has 1 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 4-nitro-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 4-nitro-5-(trifluoromethyl)-1H-pyrazole is 1046462-99-0.
What is the molecular formula of 4-nitro-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 4-nitro-5-(trifluoromethyl)-1H-pyrazole is C4H2F3N3O2.
What is the molecular weight of 4-nitro-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 4-nitro-5-(trifluoromethyl)-1H-pyrazole is 181.00992 g/mol.
Where can I buy 4-nitro-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 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 4-nitro-5-(trifluoromethyl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 4-nitro-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.