3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol

C10H19N3OS — CID 106310344

IUPAC3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCCn1cccn1
InChIInChI=1S/C10H19N3OS/c14-8-2-9-15-10-5-11-4-7-13-6-1-3-12-13/h1,3,6,11,14H,2,4-5,7-10H2
InChIKeyFMZBOXHINFUYDO-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.59
Rot. Bonds9

About 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol

3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106310344) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol
PubChem CID106310344
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCCn1cccn1
InChIInChI=1S/C10H19N3OS/c14-8-2-9-15-10-5-11-4-7-13-6-1-3-12-13/h1,3,6,11,14H,2,4-5,7-10H2
InChIKeyFMZBOXHINFUYDO-UHFFFAOYSA-N
XLogP0.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-pyrazol-1-ylethyl)nonan-1-amine
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6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
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5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
1-(3-ethylsulfanylpropyl)pyrazole
CID 115651086
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
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3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol (CID 106310344) is 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol is OCCCSCCNCCn1cccn1.
What is the InChIKey of 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is FMZBOXHINFUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c14-8-2-9-15-10-5-11-4-7-13-6-1-3-12-13/h1,3,6,11,14H,2,4-5,7-10H2.
What are the key properties of 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol?
3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyrazol-1-ylethylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106310344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).