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5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-73-8) is a chemical compound with molecular formula C16H14N4O and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-4-(pyridin-3-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one
Also Known As: 9B-126, 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 5-phenyl-4-(pyridin-3-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one, 3-phenyl-4-({[(pyridin-3-yl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 3-phenyl-4-[(pyridin-3-ylmethylamino)methylidene]-1H-pyrazol-5-one
| Molecular Formula | C16H14N4O |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.3841 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.11676 |
| Heavy Atoms | 21 |
| Complexity | 787.9041 |
Chemical Identifiers
| CAS Number | 338975-73-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)NN2)C=NCC3=CN=CC=C3 |
Product Overview
5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-73-8), with molecular formula C16H14N4O and molecular weight 278.12 g/mol. IUPAC: 5-phenyl-4-(pyridin-3-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.3841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one has 2 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 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 338975-73-8.
What is the molecular formula of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is C16H14N4O.
What is the molecular weight of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 278.12 g/mol.
Where can I buy 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-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 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.