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

C17H15ClN2O — CID 1484007

IUPAC(5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1
InChIInChI=1S/C17H15ClN2O/c1-11-2-4-12(5-3-11)15-10-16(19-20-17(15)21)13-6-8-14(18)9-7-13/h2-9,15H,10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyBCRGADIVYUGOKJ-OAHLLOKOSA-N
MW298.77 g/mol
LogP3.66
Rot. Bonds2

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

(5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1484007) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1484007
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1
InChIInChI=1S/C17H15ClN2O/c1-11-2-4-12(5-3-11)15-10-16(19-20-17(15)21)13-6-8-14(18)9-7-13/h2-9,15H,10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyBCRGADIVYUGOKJ-OAHLLOKOSA-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 (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 1484007) is (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is BCRGADIVYUGOKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-2-4-12(5-3-11)15-10-16(19-20-17(15)21)13-6-8-14(18)9-7-13/h2-9,15H,10H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
(5R)-3-(4-chlorophenyl)-5-(4-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 (5R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1484007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).