6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one

C18H17FN2O — CID 20569972

IUPAC6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one
SMILESCC1CC(=O)N(C)N=C1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O/c1-12-11-17(22)21(2)20-18(12)15-5-3-13(4-6-15)14-7-9-16(19)10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyVJMRJXSJJBBPIS-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.69
Rot. Bonds2

About 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one

6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one (PubChem CID 20569972) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one
PubChem CID20569972
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one
SMILESCC1CC(=O)N(C)N=C1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O/c1-12-11-17(22)21(2)20-18(12)15-5-3-13(4-6-15)14-7-9-16(19)10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyVJMRJXSJJBBPIS-UHFFFAOYSA-N
XLogP3.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
2-methyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475355
2-[4-(tert-butyl)benzyl]-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 5707551
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 7334337
trans-(1R,2R)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 9565072
1-[3-(4-Fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25145915
1-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25146034
trans-(1R,2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 25753841
trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73349390
1-Cyclohexyl-4-(4-methylbenzyl)-3-(p-tolyl)-1H-pyrazol-5(4H)-one
CID 164615011
6-(4-fluorophenyl)-4-(4-methylbenzyl)-3(2H)-pyridazinone
CID 2811823
4-(4-fluorobenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811844

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one (CID 20569972) is 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one is CC1CC(=O)N(C)N=C1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one?
The InChIKey is VJMRJXSJJBBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-11-17(22)21(2)20-18(12)15-5-3-13(4-6-15)14-7-9-16(19)10-8-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one?
6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one has a molecular weight of 296.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20569972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).