N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime
TL;DR: N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime (CAS 152828-23-4) is a chemical compound with molecular formula C14H17N5O3 and molecular weight 303.13315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(5-tert-butyl-1H-pyrazol-3-yl)-N-hydroxy-4-nitrobenzenecarboximidamide
Also Known As: J1.634.886D, N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime, 1,3-Benzenedicarboxaldehyde,2-mercapto-5-methyl, N-(3-tert-Butyl-1H-pyrazole-5-yl)-4-nitrobenzamideoxime, N'-(5-tert-butyl-1H-pyrazol-3-yl)-N-hydroxy-4-nitrobenzenecarboximidamide
Technical Specifications
| Molecular Formula | C14H17N5O3 |
| Molecular Weight | 303.13315 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.13315 Da |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
| SMILES | CC(C)(C)C1=CC(=NN1)N=C(C2=CC=C(C=C2)[N+](=O)[O-])NO |
| InChIKey | OAEVYLPNBQGVNP-UHFFFAOYSA-N |
Chemical Property Profile of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime
Property Insights of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime. Following Lipinski's Rule of Five, N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime has 3 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 N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime?
The CAS number of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime is 152828-23-4.
What is the molecular formula of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime?
The molecular formula of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime is C14H17N5O3.
What is the molecular weight of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime?
The molecular weight of N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime is 303.13315 g/mol.
Where can I buy N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime?
You can request a quote for N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime?
Yes, CoreyChem provides custom synthesis services for N-(5-tert-Butyl-2H-pyrazol-3-yl)-4-nitrobenzamide oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.