2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one

C15H16ClN3O2 — CID 941442

IUPAC2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccc(Cl)cc2)C(=O)CC1)N1CCCC1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-5-12(6-4-11)19-14(20)8-7-13(17-19)15(21)18-9-1-2-10-18/h3-6H,1-2,7-10H2
InChIKeyWICNXYBIJUSOMG-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.45
Rot. Bonds2

About 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one

2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 941442) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID941442
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccc(Cl)cc2)C(=O)CC1)N1CCCC1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-5-12(6-4-11)19-14(20)8-7-13(17-19)15(21)18-9-1-2-10-18/h3-6H,1-2,7-10H2
InChIKeyWICNXYBIJUSOMG-UHFFFAOYSA-N
XLogP2.45
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3832897
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3668110
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 24682928
6-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 3997617
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3779207
1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 25219455
2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 5152065

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one (CID 941442) is 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one is O=C(C1=NN(c2ccc(Cl)cc2)C(=O)CC1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is WICNXYBIJUSOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-3-5-12(6-4-11)19-14(20)8-7-13(17-19)15(21)18-9-1-2-10-18/h3-6H,1-2,7-10H2.
What are the key properties of 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 305.76 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 941442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).