1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol

C13H24N2O — CID 62731284

IUPAC1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol
SMILESCCCCC(CC)Cn1cc(C(C)O)cn1
InChIInChI=1S/C13H24N2O/c1-4-6-7-12(5-2)9-15-10-13(8-14-15)11(3)16/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyMCUANHHHKWLCEX-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.15
Rot. Bonds7

About 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol

1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol (PubChem CID 62731284) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol
PubChem CID62731284
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol
SMILESCCCCC(CC)Cn1cc(C(C)O)cn1
InChIInChI=1S/C13H24N2O/c1-4-6-7-12(5-2)9-15-10-13(8-14-15)11(3)16/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyMCUANHHHKWLCEX-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol (CID 62731284) is 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol is CCCCC(CC)Cn1cc(C(C)O)cn1.
What is the InChIKey of 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol?
The InChIKey is MCUANHHHKWLCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-7-12(5-2)9-15-10-13(8-14-15)11(3)16/h8,10-12,16H,4-7,9H2,1-3H3.
What are the key properties of 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol?
1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol has a molecular weight of 224.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 62731284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).