2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one

C19H17FN2O — CID 1471709

IUPAC2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(C=Cc2ccccc2)=NN1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O/c20-17-9-6-16(7-10-17)14-22-19(23)13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-11H,12-14H2
InChIKeyCTPQIFPCIQSZFH-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.02
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one (PubChem CID 1471709) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one
PubChem CID1471709
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(C=Cc2ccccc2)=NN1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O/c20-17-9-6-16(7-10-17)14-22-19(23)13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-11H,12-14H2
InChIKeyCTPQIFPCIQSZFH-UHFFFAOYSA-N
XLogP4.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one (CID 1471709) is 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one is O=C1CCC(C=Cc2ccccc2)=NN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is CTPQIFPCIQSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-9-6-16(7-10-17)14-22-19(23)13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-11H,12-14H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 308.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1471709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).