2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
TL;DR: 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide (CAS 333327-51-8) is a chemical compound with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
Also Known As: 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
| Molecular Formula | C12H11ClN4O3 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 2.84044 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.05197 |
| Heavy Atoms | 20 |
| Complexity | 676.50604 |
Chemical Identifiers
| CAS Number | 333327-51-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide (CAS 333327-51-8), with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol. IUPAC: 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
Property Insights of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
The XLogP value of 2.84044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide?
The CAS number of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide is 333327-51-8.
What is the molecular formula of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide?
The molecular formula of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide is C12H11ClN4O3.
What is the molecular weight of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide?
The molecular weight of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide is 294.05 g/mol.
Where can I buy 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide?
You can request a quote for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.