1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole
TL;DR: 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole (CAS 489408-31-3) is a chemical compound with molecular formula C12H9ClN4O5 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-nitrophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone
Also Known As: 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole, (2-chloro-5-nitrophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone
| Molecular Formula | C12H9ClN4O5 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 2.65824 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.02615 |
| Heavy Atoms | 22 |
| Complexity | 814.0882 |
Chemical Identifiers
| CAS Number | 489408-31-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)[N+](=O)[O-] |
Product Overview
1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole (CAS 489408-31-3), with molecular formula C12H9ClN4O5 and molecular weight 324.03 g/mol. IUPAC: (2-chloro-5-nitrophenyl)-(3,5-dimethyl-4-nitropyrazol-1-yl)methanone.
Chemical Property Profile of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole
Property Insights of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.65824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 6 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 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole is 489408-31-3.
What is the molecular formula of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole is C12H9ClN4O5.
What is the molecular weight of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole is 324.03 g/mol.
Where can I buy 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-chloro-5-nitrobenzoyl}-4-nitro-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.