4-bromo-3-(3-nitrophenyl)-1H-pyrazole
TL;DR: 4-bromo-3-(3-nitrophenyl)-1H-pyrazole (CAS 945865-24-7) is a chemical compound with molecular formula C9H6BrN3O2 and molecular weight 266.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-(3-nitrophenyl)-1H-pyrazole
Also Known As: 4-bromo-3-(3-nitrophenyl)-1H-pyrazole, 4-bromo-5-(3-nitrophenyl)-1H-pyrazole
| Molecular Formula | C9H6BrN3O2 |
|---|---|
| Molecular Weight | 266.96 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.96432 |
| Heavy Atoms | 15 |
| Complexity | 509.5635 |
Chemical Identifiers
| CAS Number | 945865-24-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=NN2)Br |
Product Overview
4-bromo-3-(3-nitrophenyl)-1H-pyrazole (CAS 945865-24-7), with molecular formula C9H6BrN3O2 and molecular weight 266.96 g/mol. IUPAC: 4-bromo-5-(3-nitrophenyl)-1H-pyrazole.
Chemical Property Profile of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole
Property Insights of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-3-(3-nitrophenyl)-1H-pyrazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-3-(3-nitrophenyl)-1H-pyrazole. Following Lipinski's Rule of Five, 4-bromo-3-(3-nitrophenyl)-1H-pyrazole has 1 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-bromo-3-(3-nitrophenyl)-1H-pyrazole?
The CAS number of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole is 945865-24-7.
What is the molecular formula of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole?
The molecular formula of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole is C9H6BrN3O2.
What is the molecular weight of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole?
The molecular weight of 4-bromo-3-(3-nitrophenyl)-1H-pyrazole is 266.96 g/mol.
Where can I buy 4-bromo-3-(3-nitrophenyl)-1H-pyrazole?
You can request a quote for 4-bromo-3-(3-nitrophenyl)-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-bromo-3-(3-nitrophenyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3-(3-nitrophenyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.