4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one

C17H17ClF4N4O — CID 133314120

IUPAC4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(CC(F)(F)C(F)F)CC2)cnn1-c1ccccc1
InChIInChI=1S/C17H17ClF4N4O/c18-14-13(10-23-26(15(14)27)12-4-2-1-3-5-12)25-8-6-24(7-9-25)11-17(21,22)16(19)20/h1-5,10,16H,6-9,11H2
InChIKeyQHQJNEFSDGHLGH-UHFFFAOYSA-N
MW404.80 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 133314120) has the molecular formula C17H17ClF4N4O and a molecular weight of 404.80 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
PubChem CID133314120
Molecular FormulaC17H17ClF4N4O
Molecular Weight404.80 g/mol
Exact Mass404.10
IUPAC Name4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(CC(F)(F)C(F)F)CC2)cnn1-c1ccccc1
InChIInChI=1S/C17H17ClF4N4O/c18-14-13(10-23-26(15(14)27)12-4-2-1-3-5-12)25-8-6-24(7-9-25)11-17(21,22)16(19)20/h1-5,10,16H,6-9,11H2
InChIKeyQHQJNEFSDGHLGH-UHFFFAOYSA-N
XLogP2.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
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CID 75457249
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
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CID 29108150
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31922389
4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
CID 26451386
4-chloro-5-[4-(4-methylpentanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26699737
4-chloro-5-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26690054
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387328
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one (CID 133314120) is 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCN(CC(F)(F)C(F)F)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is QHQJNEFSDGHLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF4N4O/c18-14-13(10-23-26(15(14)27)12-4-2-1-3-5-12)25-8-6-24(7-9-25)11-17(21,22)16(19)20/h1-5,10,16H,6-9,11H2.
What are the key properties of 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 404.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133314120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).