3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide
TL;DR: 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide (CAS 489408-34-6) is a chemical compound with molecular formula C17H11ClFN5O5 and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide
Also Known As: 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide, N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide, N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzamide, N-(4-chloro-2-fluoro-phenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide, N~1~-(4-CHLORO-2-FLUOROPHENYL)-3-[(3,4-DINITRO-1H-PYRAZOL-1-YL)METHYL]BENZAMIDE
| Molecular Formula | C17H11ClFN5O5 |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 3.7926 |
| Topological Polar Surface Area | 133.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.04327 |
| Heavy Atoms | 29 |
| Complexity | 1101.6515 |
Chemical Identifiers
| CAS Number | 489408-34-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)CN3C=C(C(=N3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide (CAS 489408-34-6), with molecular formula C17H11ClFN5O5 and molecular weight 419.04 g/mol. IUPAC: N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitropyrazol-1-yl)methyl]benzamide.
Chemical Property Profile of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide
Property Insights of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide
The XLogP value of 3.7926 indicates that 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide. Following Lipinski's Rule of Five, 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide has 1 hydrogen bond donor(s) and 6 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 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide?
The CAS number of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide is 489408-34-6.
What is the molecular formula of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide?
The molecular formula of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide is C17H11ClFN5O5.
What is the molecular weight of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide?
The molecular weight of 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide is 419.04 g/mol.
Where can I buy 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide?
You can request a quote for 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-({3,4-bisnitro-1H-pyrazol-1-yl}methyl)-N-(4-chloro-2-fluorophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.