![4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide structure](/static/products/374/374100-19-3.png)
4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
TL;DR: 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide (CAS 374100-19-3) is a chemical compound with molecular formula C26H30N6O3S and molecular weight 506.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[2-(4-nitrophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylideneamino]methyl]-N-phenylpiperidine-1-carbothioamide
Also Known As: 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide, (E)-4-((((1-(4-nitrophenyl)-5-oxo-3-propyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)methyl)-N-phenylpiperidine-1-carbothioamide, 1-(4-nitrophenyl)-4-{[({1-[(phenylamino)thioxomethyl](4-piperidyl)}methyl)amin o]methylene}-3-propyl-1,2-diazolin-5-one, 4-[({[(4E)-1-(4-NITROPHENYL)-5-OXO-3-PROPYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)METHYL]-N-PHENYLPIPERIDINE-1-CARBOTHIOAMIDE, 4-[({[1-(4-nitrophenyl)-5-oxo-3-propyl-2H-pyrazol-4-yl]methylidene}amino)methyl]-N-phenylpiperidine-1-carbothioamide
| Molecular Formula | C26H30N6O3S |
|---|---|
| Molecular Weight | 506.21 g/mol |
| LogP | 4.5542 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.21002 |
| Heavy Atoms | 36 |
| Complexity | 1275.2584 |
Chemical Identifiers
| CAS Number | 374100-19-3 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCC3CCN(CC3)C(=S)NC4=CC=CC=C4 |
Product Overview
4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide (CAS 374100-19-3), with molecular formula C26H30N6O3S and molecular weight 506.21 g/mol. IUPAC: 4-[[[2-(4-nitrophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylideneamino]methyl]-N-phenylpiperidine-1-carbothioamide.
Chemical Property Profile of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
Property Insights of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
The XLogP value of 4.5542 indicates that 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide. Following Lipinski's Rule of Five, 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide?
The CAS number of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide is 374100-19-3.
What is the molecular formula of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide?
The molecular formula of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide is C26H30N6O3S.
What is the molecular weight of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide?
The molecular weight of 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide is 506.21 g/mol.
Where can I buy 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide?
You can request a quote for 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.