![1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine structure](/static/products/5917/591765-40-1.webp)
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine
TL;DR: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine (CAS 591765-40-1) is a chemical compound with molecular formula C21H22FN5O4S and molecular weight 459.13766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(4-fluorophenyl)sulfonylpiperazine
Also Known As: 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine, 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(4-fluorophenyl)sulfonylpiperazine, 1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl)-4-((4-fluorophenyl)sulfonyl)piperazine, 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine
Technical Specifications
| Molecular Formula | C21H22FN5O4S |
| Molecular Weight | 459.13766 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.13766 Da |
| Heavy Atoms | 32 |
| Complexity | 759.0 |
| SMILES | CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-])C |
| InChIKey | YFGGXIRVWHZPKJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine
Property Insights of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine
The XLogP value of 3.4 indicates that 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine. Following Lipinski's Rule of Five, 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine?
The CAS number of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine is 591765-40-1.
What is the molecular formula of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine?
The molecular formula of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine is C21H22FN5O4S.
What is the molecular weight of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine?
The molecular weight of 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine is 459.13766 g/mol.
Where can I buy 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine?
You can request a quote for 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine?
Yes, CoreyChem provides custom synthesis services for 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-[(4-fluorophenyl)sulfonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.