(Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 313962-99-1) is a chemical compound with molecular formula C23H26N4O and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethyl-3-methyl-4H-isoquinolin-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[(3-ethyl-3-methyl-4H-isoquinolin-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(3-ethyl-3-methyl-3,4-dihydro-1(2H)-isoquinolinylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-{[(1Z)-3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C23H26N4O |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 4.06792 |
| Topological Polar Surface Area | 51.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.21066 |
| Heavy Atoms | 28 |
| Complexity | 1107.3762 |
Chemical Identifiers
| CAS Number | 313962-99-1 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C(=N1)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C |
Product Overview
(Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 313962-99-1), with molecular formula C23H26N4O and molecular weight 374.21 g/mol. IUPAC: 4-[(3-ethyl-3-methyl-4H-isoquinolin-1-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 4.06792 indicates that (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.32 Ų, (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 1 hydrogen bond donor(s) and 3 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 (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 313962-99-1.
What is the molecular formula of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C23H26N4O.
What is the molecular weight of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 374.21 g/mol.
Where can I buy (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((3-ethyl-3-methyl-3,4-dihydroisoquinolin-1(2H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.