4-chloro-1-(4-nitrobenzyl)-1H-pyrazole
TL;DR: 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole (CAS 512809-55-1) is a chemical compound with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-[(4-nitrophenyl)methyl]pyrazole
Also Known As: 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole, 4-chloro-1-[(4-nitrophenyl)methyl]pyrazole, 4-Chloro-1-(4-nitro-benzyl)-1H-pyrazole, 4-chloro-1-[(4-nitrophenyl)methyl]-1H-pyrazole, 4-chloro-1-{4-nitrobenzyl}-1H-pyrazole
| Molecular Formula | C10H8ClN3O2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.493 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0305 |
| Heavy Atoms | 16 |
| Complexity | 507.03763 |
Chemical Identifiers
| CAS Number | 512809-55-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C=N2)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-1-(4-nitrobenzyl)-1H-pyrazole (CAS 512809-55-1), with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol. IUPAC: 4-chloro-1-[(4-nitrophenyl)methyl]pyrazole.
Chemical Property Profile of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole
Property Insights of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole
The XLogP value of 2.493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole. Following Lipinski's Rule of Five, 4-chloro-1-(4-nitrobenzyl)-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 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole?
The CAS number of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole is 512809-55-1.
What is the molecular formula of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole?
The molecular formula of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole is C10H8ClN3O2.
What is the molecular weight of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole?
The molecular weight of 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole is 237.03 g/mol.
Where can I buy 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole?
You can request a quote for 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-(4-nitrobenzyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.