2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol

C20H24N4O3S2 — CID 29384847

IUPAC2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CCO)CC1
InChIInChI=1S/C20H24N4O3S2/c25-13-12-22-8-10-24(11-9-22)29(26,27)19-16-23(15-17-5-2-1-3-6-17)21-20(19)18-7-4-14-28-18/h1-7,14,16,25H,8-13,15H2
InChIKeyPELZPFWSQAXDHK-UHFFFAOYSA-N
MW432.57 g/mol
LogP1.96
Rot. Bonds7

About 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol

2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 29384847) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
PubChem CID29384847
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CCO)CC1
InChIInChI=1S/C20H24N4O3S2/c25-13-12-22-8-10-24(11-9-22)29(26,27)19-16-23(15-17-5-2-1-3-6-17)21-20(19)18-7-4-14-28-18/h1-7,14,16,25H,8-13,15H2
InChIKeyPELZPFWSQAXDHK-UHFFFAOYSA-N
XLogP1.96
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol (CID 29384847) is 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is PELZPFWSQAXDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c25-13-12-22-8-10-24(11-9-22)29(26,27)19-16-23(15-17-5-2-1-3-6-17)21-20(19)18-7-4-14-28-18/h1-7,14,16,25H,8-13,15H2.
What are the key properties of 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 432.57 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 29384847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).