1-(4-fluorobenzyl)-3-nitro-1H-pyrazole
TL;DR: 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole (CAS 400877-64-7) is a chemical compound with molecular formula C10H8FN3O2 and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-3-nitropyrazole
Also Known As: 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole, 1-[(4-Fluorophenyl)methyl]-3-nitro-1H-pyrazole, 1-(4-Fluoro-benzyl)-3-nitro-1H-pyrazole, 1-[(4-fluorophenyl)methyl]-3-nitropyrazole, 1-[(4-fluorophenyl)methyl]-3-nitro-pyrazole
| Molecular Formula | C10H8FN3O2 |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.9787 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.06006 |
| Heavy Atoms | 16 |
| Complexity | 507.03763 |
Chemical Identifiers
| CAS Number | 400877-64-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CC(=N2)[N+](=O)[O-])F |
Product Overview
1-(4-fluorobenzyl)-3-nitro-1H-pyrazole (CAS 400877-64-7), with molecular formula C10H8FN3O2 and molecular weight 221.06 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-3-nitropyrazole.
Chemical Property Profile of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole
Property Insights of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole
The XLogP value of 1.9787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-3-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-(4-fluorobenzyl)-3-nitro-1H-pyrazole?
The CAS number of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole is 400877-64-7.
What is the molecular formula of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole?
The molecular formula of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole is C10H8FN3O2.
What is the molecular weight of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole?
The molecular weight of 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole is 221.06 g/mol.
Where can I buy 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole?
You can request a quote for 1-(4-fluorobenzyl)-3-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-(4-fluorobenzyl)-3-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.