4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide
TL;DR: 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide (CAS 514856-66-7) is a chemical compound with molecular formula C12H9BrClN5O3 and molecular weight 384.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
Also Known As: 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide, 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylpyrazole-3-carboxamide, 4-bromo-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide, N-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl](4-bromo-1-methylpyrazol-5-yl)ca rboxamide
| Molecular Formula | C12H9BrClN5O3 |
|---|---|
| Molecular Weight | 384.96 g/mol |
| LogP | 2.5081 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.95773 |
| Heavy Atoms | 22 |
| Complexity | 754.6174 |
Chemical Identifiers
| CAS Number | 514856-66-7 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide (CAS 514856-66-7), with molecular formula C12H9BrClN5O3 and molecular weight 384.96 g/mol. IUPAC: 4-bromo-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide
Property Insights of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide
The XLogP value of 2.5081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide has 1 hydrogen bond donor(s) and 5 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-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide?
The CAS number of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide is 514856-66-7.
What is the molecular formula of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide?
The molecular formula of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide is C12H9BrClN5O3.
What is the molecular weight of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide?
The molecular weight of 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide is 384.96 g/mol.
Where can I buy 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide?
You can request a quote for 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N'-{4-chloro-3-nitrobenzylidene}-1-methyl-1H-pyrazole-5-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.