(E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide
TL;DR: (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide (CAS 371222-75-2) is a chemical compound with molecular formula C24H27N7O4 and molecular weight 477.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenylpiperazine-1-carboxamide
Also Known As: (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide, 4-[2-({(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carboxamide, 4-[2-({[3-METHYL-1-(4-NITROPHENYL)-5-OXO-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN]METHYL}AMINO)ETHYL]-N~1~-PHENYLTETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE, 4-[2-[[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]amino]ethyl]-N-phenylpiperazine-1-carboxamide, 4-[2-[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methylamino]ethyl]-N-phenylpiperazine-1-carboxamide
| Molecular Formula | C24H27N7O4 |
|---|---|
| Molecular Weight | 477.21 g/mol |
| LogP | 2.65082 |
| Topological Polar Surface Area | 128.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.21246 |
| Heavy Atoms | 35 |
| Complexity | 1257.2748 |
Chemical Identifiers
| CAS Number | 371222-75-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCN3CCN(CC3)C(=O)NC4=CC=CC=C4 |
Product Overview
(E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide (CAS 371222-75-2), with molecular formula C24H27N7O4 and molecular weight 477.21 g/mol. IUPAC: 4-[2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenylpiperazine-1-carboxamide.
Chemical Property Profile of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide
Property Insights of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide
The XLogP value of 2.65082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide. The TPSA of 128.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide. Following Lipinski's Rule of Five, (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide 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)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide?
The CAS number of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide is 371222-75-2.
What is the molecular formula of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide?
The molecular formula of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide is C24H27N7O4.
What is the molecular weight of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide?
The molecular weight of (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide is 477.21 g/mol.
Where can I buy (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide?
You can request a quote for (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(((3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)-N-phenylpiperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.