1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C18H22N4O3 — CID 70726909

IUPAC1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(C)n3cccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-14(22-9-3-8-19-22)17(23)20-10-12-21(13-11-20)18(24)15-4-6-16(25-2)7-5-15/h3-9,14H,10-13H2,1-2H3
InChIKeyRSLSWFKRLOHWGR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.44
Rot. Bonds4

About 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 70726909) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID70726909
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(C)n3cccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-14(22-9-3-8-19-22)17(23)20-10-12-21(13-11-20)18(24)15-4-6-16(25-2)7-5-15/h3-9,14H,10-13H2,1-2H3
InChIKeyRSLSWFKRLOHWGR-UHFFFAOYSA-N
XLogP1.44
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70763536
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
2-(3-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 55573903
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 70726909) is 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is COc1ccc(C(=O)N2CCN(C(=O)C(C)n3cccn3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is RSLSWFKRLOHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14(22-9-3-8-19-22)17(23)20-10-12-21(13-11-20)18(24)15-4-6-16(25-2)7-5-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 70726909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).