1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
TL;DR: 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole (CAS 1001519-05-6) is a chemical compound with molecular formula C12H12ClN3O3 and molecular weight 281.05673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitropyrazole
Also Known As: 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole, 1-((4-Chlorophenoxy)methyl)-3,5-dimethyl-4-nitro-1H-pyrazole, 1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole, 1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitropyrazole, 1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-pyrazole
Technical Specifications
| Molecular Formula | C12H12ClN3O3 |
| Molecular Weight | 281.05673 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.05673 Da |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
| SMILES | CC1=C(C(=NN1COC2=CC=C(C=C2)Cl)C)[N+](=O)[O-] |
| InChIKey | NCOMEIDQUQYWBQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
Property Insights of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
The XLogP value of 3.2 indicates that 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-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
What is the CAS number of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The CAS number of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole is 1001519-05-6.
What is the molecular formula of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The molecular formula of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole is C12H12ClN3O3.
What is the molecular weight of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The molecular weight of 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole is 281.05673 g/mol.
Where can I buy 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
You can request a quote for 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chloro-phenoxymethyl)-3,5-dimethyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.