6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one

C17H18ClN3O2 — CID 5080000

IUPAC6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O2/c18-14-5-3-13(4-6-14)15-7-8-17(23)21(19-15)12-9-16(22)20-10-1-2-11-20/h3-8H,1-2,9-12H2
InChIKeyRXKMGKGCXHPHEQ-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.58
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one

6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 5080000) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID5080000
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O2/c18-14-5-3-13(4-6-14)15-7-8-17(23)21(19-15)12-9-16(22)20-10-1-2-11-20/h3-8H,1-2,9-12H2
InChIKeyRXKMGKGCXHPHEQ-UHFFFAOYSA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
1-acetyl-3-(4-chloro-phenyl)-4,5-dihydro-1H-pyrazole
CID 1519955
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
4-chloro-2-[2-(4-chlorophenyl)-2-(methoxyimino)ethyl]-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 5523947
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methoxypropyl)propanamide
CID 5046318
6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3(2H)-one
CID 3238759
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3(2H)-one
CID 3240208
3-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2-phenylethyl)propanamide
CID 3611297

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 5080000) is 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCCC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is RXKMGKGCXHPHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-5-3-13(4-6-14)15-7-8-17(23)21(19-15)12-9-16(22)20-10-1-2-11-20/h3-8H,1-2,9-12H2.
What are the key properties of 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 331.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 5080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).