![1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole structure](/static/products/956/956574-34-8.png)
1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole (CAS 956574-34-8) is a chemical compound with molecular formula C13H14BrN3O2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
Also Known As: 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole, 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethylpyrazole, F1310-0154, 1-(1-(4-bromophenyl)-2-nitroethyl)-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C13H14BrN3O2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 3.12854 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.02695 |
| Heavy Atoms | 19 |
| Complexity | 592.43585 |
Chemical Identifiers
| CAS Number | 956574-34-8 |
|---|---|
| SMILES | CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=C(C=C2)Br)C |
Product Overview
1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole (CAS 956574-34-8), with molecular formula C13H14BrN3O2 and molecular weight 323.03 g/mol. IUPAC: 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethylpyrazole.
Chemical Property Profile of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.12854 indicates that 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-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 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole is 956574-34-8.
What is the molecular formula of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole is C13H14BrN3O2.
What is the molecular weight of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole is 323.03 g/mol.
Where can I buy 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.