2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one

C22H26N6O2 — CID 90517585

IUPAC2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(CCc2ccccc2)CC1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C22H26N6O2/c1-18(28-21(29)9-8-20(24-28)27-12-5-11-23-27)22(30)26-16-14-25(15-17-26)13-10-19-6-3-2-4-7-19/h2-9,11-12,18H,10,13-17H2,1H3
InChIKeyCQRMODXUKMSSIQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.38
Rot. Bonds6

About 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one

2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 90517585) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID90517585
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(CCc2ccccc2)CC1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C22H26N6O2/c1-18(28-21(29)9-8-20(24-28)27-12-5-11-23-27)22(30)26-16-14-25(15-17-26)13-10-19-6-3-2-4-7-19/h2-9,11-12,18H,10,13-17H2,1H3
InChIKeyCQRMODXUKMSSIQ-UHFFFAOYSA-N
XLogP1.38
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide
CID 90517558
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
CID 97263096
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121079781
2-[2-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916097
6-pyrazol-1-yl-2-[2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916286
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916069
[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 138034005
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 94120064

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one (CID 90517585) is 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one is CC(C(=O)N1CCN(CCc2ccccc2)CC1)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is CQRMODXUKMSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-18(28-21(29)9-8-20(24-28)27-12-5-11-23-27)22(30)26-16-14-25(15-17-26)13-10-19-6-3-2-4-7-19/h2-9,11-12,18H,10,13-17H2,1H3.
What are the key properties of 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one?
2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 406.49 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 90517585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).