(E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide
TL;DR: (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide (CAS 351163-67-2) is a chemical compound with molecular formula C22H31N7O3S and molecular weight 473.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-[2-[[2-(4-nitrophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylideneamino]ethyl]piperazine-1-carbothioamide
Also Known As: (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide, N-ethyl-4-[2-[[(E)-[1-(4-nitrophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methyl]amino]ethyl]piperazine-1-carbothioamide, N-ethyl-4-[2-({(Z)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide, N-ethyl-4-[2-({[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-1-piperazinecarbothioamide, N-ethyl-4-[2-[[(Z)-[1-(4-nitrophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methyl]amino]ethyl]piperazine-1-carbothioamide
| Molecular Formula | C22H31N7O3S |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 1.9572 |
| Topological Polar Surface Area | 111.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.22092 |
| Heavy Atoms | 33 |
| Complexity | 1037.2491 |
Chemical Identifiers
| CAS Number | 351163-67-2 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCN3CCN(CC3)C(=S)NCC |
Product Overview
(E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide (CAS 351163-67-2), with molecular formula C22H31N7O3S and molecular weight 473.22 g/mol. IUPAC: N-ethyl-4-[2-[[2-(4-nitrophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylideneamino]ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide
Property Insights of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide
The XLogP value of 1.9572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide. The TPSA of 111.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide has 2 hydrogen bond donor(s) and 6 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 (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide?
The CAS number of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide is 351163-67-2.
What is the molecular formula of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide?
The molecular formula of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide is C22H31N7O3S.
What is the molecular weight of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide?
The molecular weight of (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide is 473.22 g/mol.
Where can I buy (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide?
You can request a quote for (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-ethyl-4-(2-(((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.