5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C17H15ClN2O — CID 3543116

IUPAC5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cccc(C2=NNC(=O)C(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H15ClN2O/c1-11-3-2-4-13(9-11)16-10-15(17(21)20-19-16)12-5-7-14(18)8-6-12/h2-9,15H,10H2,1H3,(H,20,21)
InChIKeyDYNYOPQNLHUZKT-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.66
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 3543116) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID3543116
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cccc(C2=NNC(=O)C(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H15ClN2O/c1-11-3-2-4-13(9-11)16-10-15(17(21)20-19-16)12-5-7-14(18)8-6-12/h2-9,15H,10H2,1H3,(H,20,21)
InChIKeyDYNYOPQNLHUZKT-UHFFFAOYSA-N
XLogP3.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 3543116) is 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is Cc1cccc(C2=NNC(=O)C(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is DYNYOPQNLHUZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-3-2-4-13(9-11)16-10-15(17(21)20-19-16)12-5-7-14(18)8-6-12/h2-9,15H,10H2,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 298.77 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 3543116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).