1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine
TL;DR: 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine (CAS 1039003-27-4) is a chemical compound with molecular formula C14H16ClN5O2 and molecular weight 321.09924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazine
Also Known As: 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine, 1-[(4-chlorophenyl)methyl]-4-(4-nitro-1H-pyrazol-5-yl)piperazine, 1-[(4-chlorophenyl)methyl]-4-(4-nitro-2H-pyrazol-3-yl)piperazine
Technical Specifications
| Molecular Formula | C14H16ClN5O2 |
| Molecular Weight | 321.09924 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.09924 Da |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=C(C=NN3)[N+](=O)[O-] |
| InChIKey | SKTPBEUPVRLKEH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine
Property Insights of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine 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 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
The CAS number of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine is 1039003-27-4.
What is the molecular formula of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
The molecular formula of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine is C14H16ClN5O2.
What is the molecular weight of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
The molecular weight of 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine is 321.09924 g/mol.
Where can I buy 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
You can request a quote for 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-(4-chlorobenzyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.