3-Difluoromethyl-4-nitro-5-phenylpyrazole
TL;DR: 3-Difluoromethyl-4-nitro-5-phenylpyrazole (CAS 1029650-43-8) is a chemical compound with molecular formula C10H7F2N3O2 and molecular weight 239.05063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(difluoromethyl)-4-nitro-3-phenyl-1H-pyrazole
Also Known As: 3-Difluoromethyl-4-nitro-5-phenylpyrazole, 5-(difluoromethyl)-4-nitro-3-phenyl-1H-pyrazole, 3-(difluoromethyl)-4-nitro-5-phenylpyrazole, 3-(difluoromethyl)-4-nitro-5-phenyl-1H-pyrazole, 3-(difluoromethyl)-4-nitro-5-phenyl-2H-pyrazole
Technical Specifications
| Molecular Formula | C10H7F2N3O2 |
| Molecular Weight | 239.05063 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05063 Da |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2[N+](=O)[O-])C(F)F |
| InChIKey | KUGNZJQBVWLMFO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Difluoromethyl-4-nitro-5-phenylpyrazole
Property Insights of 3-Difluoromethyl-4-nitro-5-phenylpyrazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Difluoromethyl-4-nitro-5-phenylpyrazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Difluoromethyl-4-nitro-5-phenylpyrazole. Following Lipinski's Rule of Five, 3-Difluoromethyl-4-nitro-5-phenylpyrazole has 1 hydrogen bond donor(s) and 5 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-Difluoromethyl-4-nitro-5-phenylpyrazole?
The CAS number of 3-Difluoromethyl-4-nitro-5-phenylpyrazole is 1029650-43-8.
What is the molecular formula of 3-Difluoromethyl-4-nitro-5-phenylpyrazole?
The molecular formula of 3-Difluoromethyl-4-nitro-5-phenylpyrazole is C10H7F2N3O2.
What is the molecular weight of 3-Difluoromethyl-4-nitro-5-phenylpyrazole?
The molecular weight of 3-Difluoromethyl-4-nitro-5-phenylpyrazole is 239.05063 g/mol.
Where can I buy 3-Difluoromethyl-4-nitro-5-phenylpyrazole?
You can request a quote for 3-Difluoromethyl-4-nitro-5-phenylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Difluoromethyl-4-nitro-5-phenylpyrazole?
Yes, CoreyChem provides custom synthesis services for 3-Difluoromethyl-4-nitro-5-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.