2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol

C9H11N3O — CID 130615801

IUPAC2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
SMILESOCCn1cc(-n2cccc2)cn1
InChIInChI=1S/C9H11N3O/c13-6-5-12-8-9(7-10-12)11-3-1-2-4-11/h1-4,7-8,13H,5-6H2
InChIKeyNCMUXEZDDOAHLU-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.67
Rot. Bonds3

About 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol

2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol (PubChem CID 130615801) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
PubChem CID130615801
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
SMILESOCCn1cc(-n2cccc2)cn1
InChIInChI=1S/C9H11N3O/c13-6-5-12-8-9(7-10-12)11-3-1-2-4-11/h1-4,7-8,13H,5-6H2
InChIKeyNCMUXEZDDOAHLU-UHFFFAOYSA-N
XLogP0.67
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol (CID 130615801) is 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol is OCCn1cc(-n2cccc2)cn1.
What is the InChIKey of 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
The InChIKey is NCMUXEZDDOAHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-6-5-12-8-9(7-10-12)11-3-1-2-4-11/h1-4,7-8,13H,5-6H2.
What are the key properties of 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 130615801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).