6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one

C21H19ClN2O — CID 142633138

IUPAC6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one
SMILESCCCC#CN1N=C(c2ccc(Cl)cc2)CC(c2ccccc2)C1=O
InChIInChI=1S/C21H19ClN2O/c1-2-3-7-14-24-21(25)19(16-8-5-4-6-9-16)15-20(23-24)17-10-12-18(22)13-11-17/h4-6,8-13,19H,2-3,15H2,1H3
InChIKeyYXGPPTDEYRTDIA-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.82
Rot. Bonds3

About 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one

6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 142633138) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one
PubChem CID142633138
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one
SMILESCCCC#CN1N=C(c2ccc(Cl)cc2)CC(c2ccccc2)C1=O
InChIInChI=1S/C21H19ClN2O/c1-2-3-7-14-24-21(25)19(16-8-5-4-6-9-16)15-20(23-24)17-10-12-18(22)13-11-17/h4-6,8-13,19H,2-3,15H2,1H3
InChIKeyYXGPPTDEYRTDIA-UHFFFAOYSA-N
XLogP4.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
[4-[5-(4-chlorophenyl)-3-ethyl-3,4-dihydropyrazol-2-yl]-5-oxo-2-phenyl-2H-furan-3-yl] acetate
CID 149327771
5-(4-chlorophenyl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide;ethane
CID 166135609
(NZ)-4-chloro-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]benzenesulfonamide
CID 58298409
(5R)-3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 1484013
(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9279325
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanamine
CID 18407264
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
5-(4-chlorophenyl)-2-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole
CID 3770049
(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]piperidine-1-sulfonamide
CID 58298408

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one (CID 142633138) is 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one is CCCC#CN1N=C(c2ccc(Cl)cc2)CC(c2ccccc2)C1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is YXGPPTDEYRTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-2-3-7-14-24-21(25)19(16-8-5-4-6-9-16)15-20(23-24)17-10-12-18(22)13-11-17/h4-6,8-13,19H,2-3,15H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one?
6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 350.85 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-pent-1-ynyl-4-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 142633138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).