3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H15FN2O — CID 137463145

IUPAC3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2)ccc1-c1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-11-10-12(16-8-9-17(21)20-19-16)6-7-13(11)14-4-2-3-5-15(14)18/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyOHHQQVYXKGRTNU-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.42
Rot. Bonds2

About 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463145) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463145
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cc(C2=NNC(=O)CC2)ccc1-c1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-11-10-12(16-8-9-17(21)20-19-16)6-7-13(11)14-4-2-3-5-15(14)18/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyOHHQQVYXKGRTNU-UHFFFAOYSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 5334232
N'-[1-(2,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 9563317
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-
CID 369353
Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
CID 3078592
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-, (+-)-
CID 3078594
6-(4-Fluorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 605878
6-(4-isopropylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1471687
N'-(3,4-dihydro-1(2H)-naphthalenylidene)-2-(1-naphthyl)acetohydrazide
CID 6003090
trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide
CID 7124308

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463145) is 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1cc(C2=NNC(=O)CC2)ccc1-c1ccccc1F.
What is the InChIKey of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OHHQQVYXKGRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-10-12(16-8-9-17(21)20-19-16)6-7-13(11)14-4-2-3-5-15(14)18/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 282.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).