1-(3-ethylsulfanylpropyl)pyrazole

C8H14N2S — CID 115651086

IUPAC1-(3-ethylsulfanylpropyl)pyrazole
SMILESCCSCCCn1cccn1
InChIInChI=1S/C8H14N2S/c1-2-11-8-4-7-10-6-3-5-9-10/h3,5-6H,2,4,7-8H2,1H3
InChIKeyGJGKTSFOTIZBMY-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.03
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)pyrazole

1-(3-ethylsulfanylpropyl)pyrazole (PubChem CID 115651086) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)pyrazole.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)pyrazole
PubChem CID115651086
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-(3-ethylsulfanylpropyl)pyrazole
SMILESCCSCCCn1cccn1
InChIInChI=1S/C8H14N2S/c1-2-11-8-4-7-10-6-3-5-9-10/h3,5-6H,2,4,7-8H2,1H3
InChIKeyGJGKTSFOTIZBMY-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(4,4-dimethylhexyl)pyrazole
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1-hept-6-enylpyrazole
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3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol
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2-[1-(3-ethylsulfanylpropyl)pyrazol-4-yl]aniline
CID 113473561
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
1-(4,4,4-trifluorobutyl)pyrazole
CID 115518539
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
1-ethylpyrazole;propane
CID 142296683

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)pyrazole?
The IUPAC name of 1-(3-ethylsulfanylpropyl)pyrazole (CID 115651086) is 1-(3-ethylsulfanylpropyl)pyrazole.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)pyrazole?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)pyrazole is CCSCCCn1cccn1.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)pyrazole?
The InChIKey is GJGKTSFOTIZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-11-8-4-7-10-6-3-5-9-10/h3,5-6H,2,4,7-8H2,1H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)pyrazole?
1-(3-ethylsulfanylpropyl)pyrazole has a molecular weight of 170.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)pyrazole is sourced from PubChem (CID 115651086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).