1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone
TL;DR: 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone (CAS 299406-23-8) is a chemical compound with molecular formula C17H20ClN5O3 and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone
Also Known As: BAS 00318342, 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)ethanone, 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone, 1-(4-Benzyl-piperazin-1-yl)-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-ethanone, 1-(4-benzylpiperazino)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-ethanone
| Molecular Formula | C17H20ClN5O3 |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 2.09752 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.12546 |
| Heavy Atoms | 26 |
| Complexity | 800.22974 |
Chemical Identifiers
| CAS Number | 299406-23-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])Cl |
Product Overview
1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone (CAS 299406-23-8), with molecular formula C17H20ClN5O3 and molecular weight 377.13 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone.
Chemical Property Profile of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone
Property Insights of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone
The XLogP value of 2.09752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone. The TPSA of 84.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone has 0 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 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone?
The CAS number of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone is 299406-23-8.
What is the molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone?
The molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone is C17H20ClN5O3.
What is the molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone?
The molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone is 377.13 g/mol.
Where can I buy 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone?
You can request a quote for 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperazin-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.