2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one

C23H24N2O3 — CID 10110067

IUPAC2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(C3CCCC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-19-11-7-16(8-12-19)21-15-22(26)25(18-5-3-4-6-18)24-23(21)17-9-13-20(28-2)14-10-17/h7-15,18H,3-6H2,1-2H3
InChIKeyPAQFYSIVYBERJR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.71
Rot. Bonds5

About 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one

2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one (PubChem CID 10110067) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
PubChem CID10110067
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(C3CCCC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-19-11-7-16(8-12-19)21-15-22(26)25(18-5-3-4-6-18)24-23(21)17-9-13-20(28-2)14-10-17/h7-15,18H,3-6H2,1-2H3
InChIKeyPAQFYSIVYBERJR-UHFFFAOYSA-N
XLogP4.71
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one (CID 10110067) is 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(C3CCCC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is PAQFYSIVYBERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-19-11-7-16(8-12-19)21-15-22(26)25(18-5-3-4-6-18)24-23(21)17-9-13-20(28-2)14-10-17/h7-15,18H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 10110067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).