![1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/7850/78503-94-3.webp)
1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 78503-94-3) is a chemical compound with molecular formula C21H19N7O3 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-2-phenylpyrazol-3-one
Also Known As: 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 1,5-dimethyl-4-[(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]azo]-2-phenyl-pyrazol-3-one, 1,5-dimethyl-4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-2-phenylpyrazol-3-one, 4-[(E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H19N7O3 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.15494 |
| Heavy Atoms | 31 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 78503-94-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)C4=CC=NC=C4 |
| InChIKey | PPLIHMCGXWXRRN-UHFFFAOYSA-N |
Product Overview
1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 78503-94-3), with molecular formula C21H19N7O3 and molecular weight 417.15 g/mol. IUPAC: 1,5-dimethyl-4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-2-phenylpyrazol-3-one.
Chemical Property Profile of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 8 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 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 78503-94-3.
What is the molecular formula of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is C21H19N7O3.
What is the molecular weight of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 417.15 g/mol.
Where can I buy 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.