![1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone structure](/static/products/4016/401631-83-2.webp)
1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone
TL;DR: 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone (CAS 401631-83-2) is a chemical compound with molecular formula C17H21N5O3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone
Also Known As: A2643/0112577, 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone, 1-acetyl-4-[3-(3,5-dimethylpyrazolyl)-4-nitrophenyl]piperazine, 1-acetyl-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine, 1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}ethanone
| Molecular Formula | C17H21N5O3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 2.06584 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.16443 |
| Heavy Atoms | 25 |
| Complexity | 821.686 |
Chemical Identifiers
| CAS Number | 401631-83-2 |
|---|---|
| SMILES | CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C |
Product Overview
1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone (CAS 401631-83-2), with molecular formula C17H21N5O3 and molecular weight 343.16 g/mol. IUPAC: 1-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone
Property Insights of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone
The XLogP value of 2.06584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone. The TPSA of 84.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-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-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone?
The CAS number of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone is 401631-83-2.
What is the molecular formula of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone?
The molecular formula of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone is C17H21N5O3.
What is the molecular weight of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone?
The molecular weight of 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone is 343.16 g/mol.
Where can I buy 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone?
You can request a quote for 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-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-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.