2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol

C13H23N3O — CID 65018381

IUPAC2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol
SMILESNc1cc(C2CCCCCCC2)nn1CCO
InChIInChI=1S/C13H23N3O/c14-13-10-12(15-16(13)8-9-17)11-6-4-2-1-3-5-7-11/h10-11,17H,1-9,14H2
InChIKeyLBNRVHVRXFNMMM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.29
Rot. Bonds3

About 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol

2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol (PubChem CID 65018381) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol
PubChem CID65018381
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol
SMILESNc1cc(C2CCCCCCC2)nn1CCO
InChIInChI=1S/C13H23N3O/c14-13-10-12(15-16(13)8-9-17)11-6-4-2-1-3-5-7-11/h10-11,17H,1-9,14H2
InChIKeyLBNRVHVRXFNMMM-UHFFFAOYSA-N
XLogP2.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol (CID 65018381) is 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol is Nc1cc(C2CCCCCCC2)nn1CCO.
What is the InChIKey of 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol?
The InChIKey is LBNRVHVRXFNMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-13-10-12(15-16(13)8-9-17)11-6-4-2-1-3-5-7-11/h10-11,17H,1-9,14H2.
What are the key properties of 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol?
2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol has a molecular weight of 237.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-cyclooctylpyrazol-1-yl)ethanol is sourced from PubChem (CID 65018381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).