[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

C17H22N4O3S — CID 72903607

IUPAC[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)12-11-20-7-9-21(10-8-20)17(22)15-13-18-19-16(15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19)
InChIKeyAWIBBPRSXUURJV-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.88
Rot. Bonds5

About [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 72903607) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID72903607
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)12-11-20-7-9-21(10-8-20)17(22)15-13-18-19-16(15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19)
InChIKeyAWIBBPRSXUURJV-UHFFFAOYSA-N
XLogP0.88
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(2-iodophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753470
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17408119
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridinyl)methanone
CID 56533625
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 74245032
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 72903607) is [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is CS(=O)(=O)CCN1CCN(C(=O)c2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is AWIBBPRSXUURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)12-11-20-7-9-21(10-8-20)17(22)15-13-18-19-16(15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19).
What are the key properties of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone?
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 362.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 72903607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).