6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one

C20H21FN2O — CID 20569959

IUPAC6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one
SMILESCC1CC(=O)N(C(C)C)N=C1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O/c1-13(2)23-19(24)12-14(3)20(22-23)17-6-4-15(5-7-17)16-8-10-18(21)11-9-16/h4-11,13-14H,12H2,1-3H3
InChIKeyWTXYVEKGQGCBIM-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.47
Rot. Bonds3

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

6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one (PubChem CID 20569959) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one
PubChem CID20569959
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one
SMILESCC1CC(=O)N(C(C)C)N=C1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O/c1-13(2)23-19(24)12-14(3)20(22-23)17-6-4-15(5-7-17)16-8-10-18(21)11-9-16/h4-11,13-14H,12H2,1-3H3
InChIKeyWTXYVEKGQGCBIM-UHFFFAOYSA-N
XLogP4.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one (CID 20569959) is 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one is CC1CC(=O)N(C(C)C)N=C1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one?
The InChIKey is WTXYVEKGQGCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-13(2)23-19(24)12-14(3)20(22-23)17-6-4-15(5-7-17)16-8-10-18(21)11-9-16/h4-11,13-14H,12H2,1-3H3.
What are the key properties of 6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one?
6-[4-(4-fluorophenyl)phenyl]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one has a molecular weight of 324.40 g/mol, XLogP of 4.47, 3 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]-5-methyl-2-propan-2-yl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20569959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).