1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol

C10H18N2OS — CID 65129474

IUPAC1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1ccnn1CC
InChIInChI=1S/C10H18N2OS/c1-3-7-14-8-10(13)9-5-6-11-12(9)4-2/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyAEIZKUUIUGWJQG-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol

1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol (PubChem CID 65129474) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
PubChem CID65129474
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1ccnn1CC
InChIInChI=1S/C10H18N2OS/c1-3-7-14-8-10(13)9-5-6-11-12(9)4-2/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyAEIZKUUIUGWJQG-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol (CID 65129474) is 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol is CCCSCC(O)c1ccnn1CC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol?
The InChIKey is AEIZKUUIUGWJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-7-14-8-10(13)9-5-6-11-12(9)4-2/h5-6,10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol?
1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol has a molecular weight of 214.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol is sourced from PubChem (CID 65129474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).