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4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-74-9) is a chemical compound with molecular formula C10H10N4O and molecular weight 202.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pyridin-3-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one
Also Known As: 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 4-(pyridin-3-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one, 4-({[(pyridin-3-yl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 4-[(pyridin-3-ylmethylamino)methylidene]-1H-pyrazol-5-one, 4-[(pyridin-3-ylmethylamino)methylidene]-2H-pyrazol-3-one
| Molecular Formula | C10H10N4O |
|---|---|
| Molecular Weight | 202.09 g/mol |
| LogP | 0.7171 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.08546 |
| Heavy Atoms | 15 |
| Complexity | 497.39587 |
Chemical Identifiers
| CAS Number | 338975-74-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN=CC2=CNNC2=O |
Product Overview
4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-74-9), with molecular formula C10H10N4O and molecular weight 202.09 g/mol. IUPAC: 4-(pyridin-3-ylmethyliminomethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 0.7171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 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 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 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 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 338975-74-9.
What is the molecular formula of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is C10H10N4O.
What is the molecular weight of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 202.09 g/mol.
Where can I buy 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 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 4-{[(3-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 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.