1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole
TL;DR: 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole (CAS 514217-68-6) is a chemical compound with molecular formula C7H8ClN3O3 and molecular weight 217.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
Also Known As: 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole, 1H-Pyrazole, 1-(chloroacetyl)-3,5-dimethyl-4-nitro- (9CI), 2-chloro-1-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone, 2-chloro-1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanone, 1-(3,5-dimethyl-4-nitropyrazolyl)-2-chloroethan-1-one
| Molecular Formula | C7H8ClN3O3 |
|---|---|
| Molecular Weight | 217.03 g/mol |
| LogP | 1.28714 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.02542 |
| Heavy Atoms | 14 |
| Complexity | 399.12943 |
Chemical Identifiers
| CAS Number | 514217-68-6 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)CCl)C)[N+](=O)[O-] |
Product Overview
1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole (CAS 514217-68-6), with molecular formula C7H8ClN3O3 and molecular weight 217.03 g/mol. IUPAC: 2-chloro-1-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone.
Chemical Property Profile of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole
Property Insights of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole
The XLogP value of 1.28714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole has 0 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 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole is 514217-68-6.
What is the molecular formula of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole is C7H8ClN3O3.
What is the molecular weight of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole is 217.03 g/mol.
Where can I buy 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-(chloroacetyl)-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-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(chloroacetyl)-4-nitro-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.