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

C18H17ClN2O — CID 1484013

IUPAC(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1
InChIInChI=1S/C18H17ClN2O/c1-2-12-3-5-13(6-4-12)16-11-17(20-21-18(16)22)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyXVNLLELMAZZFCJ-MRXNPFEDSA-N
MW312.80 g/mol
LogP3.91
Rot. Bonds3

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

(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1484013) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1484013
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1
InChIInChI=1S/C18H17ClN2O/c1-2-12-3-5-13(6-4-12)16-11-17(20-21-18(16)22)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyXVNLLELMAZZFCJ-MRXNPFEDSA-N
XLogP3.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.91
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-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 1484013) is (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one is CCc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XVNLLELMAZZFCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-2-12-3-5-13(6-4-12)16-11-17(20-21-18(16)22)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 312.80 g/mol, XLogP of 3.91, 3 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-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1484013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).