2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one

C18H15FN2O — CID 7662356

IUPAC2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O/c1-13-2-6-15(7-3-13)17-10-11-18(22)21(20-17)12-14-4-8-16(19)9-5-14/h2-11H,12H2,1H3
InChIKeyRFNPRQTYYCNCIA-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.41
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one

2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 7662356) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID7662356
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O/c1-13-2-6-15(7-3-13)17-10-11-18(22)21(20-17)12-14-4-8-16(19)9-5-14/h2-11H,12H2,1H3
InChIKeyRFNPRQTYYCNCIA-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 207753
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1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
1-((R)-5-((S)-3-amino-2-fluoropropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 11848366
(S)-1-(5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435350
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
1-((S)-3-(2,5-difluorophenyl)-5-(3-((S)-3-fluoropyrrolidin-1-yl)propyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435375
2-benzyl-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 1472489
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one (CID 7662356) is 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is RFNPRQTYYCNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-13-2-6-15(7-3-13)17-10-11-18(22)21(20-17)12-14-4-8-16(19)9-5-14/h2-11H,12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 294.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 7662356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).