1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
TL;DR: 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole (CAS 333311-70-9) is a chemical compound with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole
Also Known As: 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole, 1-(2-Chloro-benzyl)-3,5-dimethyl-4-nitro-1H-pyrazole, UPCMLD0ENAT5616474:001, 1-[(2-Chlorophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole, 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole
| Molecular Formula | C12H12ClN3O2 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 3.10984 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0618 |
| Heavy Atoms | 18 |
| Complexity | 607.3652 |
Chemical Identifiers
| CAS Number | 333311-70-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)[N+](=O)[O-] |
Product Overview
1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole (CAS 333311-70-9), with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole.
Chemical Property Profile of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
Property Insights of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
The XLogP value of 3.10984 indicates that 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The CAS number of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is 333311-70-9.
What is the molecular formula of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The molecular formula of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is C12H12ClN3O2.
What is the molecular weight of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
The molecular weight of 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole is 265.06 g/mol.
Where can I buy 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
You can request a quote for 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-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-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.