2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one

C23H24ClN3O — CID 44539869

IUPAC2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H24ClN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
InChIKeyVNILVLXMZOAUEX-QGZVFWFLSA-N
MW393.92 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one

2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one (PubChem CID 44539869) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
PubChem CID44539869
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H24ClN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
InChIKeyVNILVLXMZOAUEX-QGZVFWFLSA-N
XLogP4.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one
CID 44539976
2-(4-fluorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44540072
4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5285589
N-{4-[3-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]phenyl}acetamide
CID 3717145
(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-2,4-dihydro-3H-pyrazol-3-one
CID 6485117
(4Z)-4-(4-chlorobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5338721
N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 118098529
4-(2-Chlorobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
CID 5338731
(4Z)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methylene]-5-methyl-pyrazol-3-one
CID 44517773
(4Z)-2-(4-chlorophenyl)-4-[(4-chlorophenyl)-(4-methyl-1-piperidyl)methylene]-5-methyl-pyrazol-3-one
CID 45267575
(4Z)-4-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methylene]-5-methyl-2-phenyl-pyrazol-3-one
CID 45268453
(4Z)-4-[(4-chlorophenyl)-(dimethylamino)methylene]-5-methyl-2-phenyl-pyrazol-3-one
CID 45268454

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one (CID 44539869) is 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The InChIKey is VNILVLXMZOAUEX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one has a molecular weight of 393.92 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 44539869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).