2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one

C22H24N6O3 — CID 90517656

IUPAC2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)C(C)n3nc(-n4cccn4)ccc3=O)CC2)cc1
InChIInChI=1S/C22H24N6O3/c1-16(28-21(30)9-8-20(24-28)27-11-3-10-23-27)22(31)26-14-12-25(13-15-26)19-6-4-18(5-7-19)17(2)29/h3-11,16H,12-15H2,1-2H3
InChIKeyHPMGENVIYISSFO-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.54
Rot. Bonds5

About 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one

2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 90517656) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID90517656
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)C(C)n3nc(-n4cccn4)ccc3=O)CC2)cc1
InChIInChI=1S/C22H24N6O3/c1-16(28-21(30)9-8-20(24-28)27-11-3-10-23-27)22(31)26-14-12-25(13-15-26)19-6-4-18(5-7-19)17(2)29/h3-11,16H,12-15H2,1-2H3
InChIKeyHPMGENVIYISSFO-UHFFFAOYSA-N
XLogP1.54
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517585
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517215
1-[4-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 119101000
tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560389
2-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517862
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7774591
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
CID 121079760
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2,2-diphenylacetamide
CID 6723193

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one (CID 90517656) is 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one is CC(=O)c1ccc(N2CCN(C(=O)C(C)n3nc(-n4cccn4)ccc3=O)CC2)cc1.
What is the InChIKey of 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is HPMGENVIYISSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-16(28-21(30)9-8-20(24-28)27-11-3-10-23-27)22(31)26-14-12-25(13-15-26)19-6-4-18(5-7-19)17(2)29/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 420.47 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 90517656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).