2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

C16H26N4OS — CID 56724365

IUPAC2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CSC1CCCC1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H26N4OS/c21-16(14-22-15-4-1-2-5-15)19-11-8-18(9-12-19)10-13-20-7-3-6-17-20/h3,6-7,15H,1-2,4-5,8-14H2
InChIKeyDFUMFAJIMPOTIY-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.70
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 56724365) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID56724365
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CSC1CCCC1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H26N4OS/c21-16(14-22-15-4-1-2-5-15)19-11-8-18(9-12-19)10-13-20-7-3-6-17-20/h3,6-7,15H,1-2,4-5,8-14H2
InChIKeyDFUMFAJIMPOTIY-UHFFFAOYSA-N
XLogP1.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyrazol-1-yl-1-thiomorpholin-4-ylpropan-1-one
CID 45828386
1-[3-(methylthio)propanoyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 70739422
2-Methylsulfanyl-1-(4-pyrazol-1-ylpiperidin-1-yl)butan-1-one
CID 84591246
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)ethanone
CID 52331542
1-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-2-(cyclopentylthio)ethanone
CID 71781162
1-(4-Pyrazol-1-ylpiperidin-1-yl)-3-sulfanylpropan-1-one
CID 177680885
1-[4-(2-Pyrazol-1-ylethyl)piperazin-1-yl]-3-sulfanylpropan-1-one
CID 177680985
2-Pyrazol-1-yl-1-thiomorpholin-4-ylethanone
CID 45828299
1-(4-Methylpiperazin-1-yl)-2-pyrazol-1-ylethanone
CID 60712105
4-Methyl-1-(2-pyrazol-1-ylethyl)piperazin-2-one
CID 169640358
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2-pyrazol-1-ylethanone
CID 172499554
2-methyl-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 173798315

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (CID 56724365) is 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is O=C(CSC1CCCC1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is DFUMFAJIMPOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c21-16(14-22-15-4-1-2-5-15)19-11-8-18(9-12-19)10-13-20-7-3-6-17-20/h3,6-7,15H,1-2,4-5,8-14H2.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 322.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56724365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).