3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate
TL;DR: 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate (CAS 476479-81-9) is a chemical compound with molecular formula C23H16N4O5 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-nitrobenzoyl)amino]-1-phenylpyrazol-5-yl] benzoate
Also Known As: 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate, [5-[(4-nitrobenzoyl)amino]-2-phenylpyrazol-3-yl] benzoate, [5-[(4-nitrobenzoyl)amino]-2-phenyl-pyrazol-3-yl] Benzoate, 3-((4-nitrobenzoyl)amino)-1-phenyl-1h-pyrazol-5-yl benzoate, 3-[(4-nitrobenzoyl)amino]-1-phenyl-1H-pyrazol-5-yl benzoate
| Molecular Formula | C23H16N4O5 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.252 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11206 |
| Heavy Atoms | 32 |
| Complexity | 1269.0117 |
Chemical Identifiers
| CAS Number | 476479-81-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate (CAS 476479-81-9), with molecular formula C23H16N4O5 and molecular weight 428.11 g/mol. IUPAC: [3-[(4-nitrobenzoyl)amino]-1-phenylpyrazol-5-yl] benzoate.
Chemical Property Profile of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate
Property Insights of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate
The XLogP value of 4.252 indicates that 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate. Following Lipinski's Rule of Five, 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate 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-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate?
The CAS number of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate is 476479-81-9.
What is the molecular formula of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate?
The molecular formula of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate is C23H16N4O5.
What is the molecular weight of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate?
The molecular weight of 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate is 428.11 g/mol.
Where can I buy 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate?
You can request a quote for 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrobenzamido)-1-phenyl-1H-pyrazol-5-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.