4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole
TL;DR: 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole (CAS 957503-69-4) is a chemical compound with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-[(3-methylphenyl)methyl]-3-nitropyrazole
Also Known As: 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole, 4-bromo-1-[(3-methylphenyl)methyl]-3-nitropyrazole, 4-Bromo-1-(3-methyl-benzyl)-3-nitro-1H-pyrazole, 4-bromo-1-(m-tolylmethyl)-3-nitro-pyrazole, 4-bromo-1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole
| Molecular Formula | C11H10BrN3O2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 2.91052 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.99564 |
| Heavy Atoms | 17 |
| Complexity | 565.59424 |
Chemical Identifiers
| CAS Number | 957503-69-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br |
Product Overview
4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole (CAS 957503-69-4), with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol. IUPAC: 4-bromo-1-[(3-methylphenyl)methyl]-3-nitropyrazole.
Chemical Property Profile of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole
Property Insights of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole
The XLogP value of 2.91052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 4-bromo-1-(3-methylbenzyl)-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 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole?
The CAS number of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole is 957503-69-4.
What is the molecular formula of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole?
The molecular formula of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole is C11H10BrN3O2.
What is the molecular weight of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole?
The molecular weight of 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole is 295.00 g/mol.
Where can I buy 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole?
You can request a quote for 4-bromo-1-(3-methylbenzyl)-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 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1-(3-methylbenzyl)-3-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.