[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C14H22N4O4S — CID 6465029

IUPAC[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cn1
InChIInChI=1S/C14H22N4O4S/c1-2-17-11-12(10-15-17)23(20,21)18-7-5-16(6-8-18)14(19)13-4-3-9-22-13/h10-11,13H,2-9H2,1H3
InChIKeyUZSXVBBCYYJEAO-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.09
Rot. Bonds4

About [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 6465029) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID6465029
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cn1
InChIInChI=1S/C14H22N4O4S/c1-2-17-11-12(10-15-17)23(20,21)18-7-5-16(6-8-18)14(19)13-4-3-9-22-13/h10-11,13H,2-9H2,1H3
InChIKeyUZSXVBBCYYJEAO-UHFFFAOYSA-N
XLogP-0.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]piperidin-4-YL}-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912905
[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1531990
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97276228
3-{1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 72882408
[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1531989
4-[(1,3-Dimethylpyrazol-4-yl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 17371556
[4-(1-Ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772854
[4-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772855
[4-(1,5-Dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 40635888
[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40635889
oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone
CID 60917295

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 6465029) is [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is CCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is UZSXVBBCYYJEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-2-17-11-12(10-15-17)23(20,21)18-7-5-16(6-8-18)14(19)13-4-3-9-22-13/h10-11,13H,2-9H2,1H3.
What are the key properties of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 6465029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).