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

C11H13N3O — CID 2119463

IUPAC2-(5-amino-3-phenylpyrazol-1-yl)ethanol
SMILESNc1cc(-c2ccccc2)nn1CCO
InChIInChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2
InChIKeyVWHSJZHUWWEFAC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.12
Rot. Bonds3

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

2-(5-amino-3-phenylpyrazol-1-yl)ethanol (PubChem CID 2119463) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(5-amino-3-phenylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-phenylpyrazol-1-yl)ethanol
PubChem CID2119463
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(5-amino-3-phenylpyrazol-1-yl)ethanol
SMILESNc1cc(-c2ccccc2)nn1CCO
InChIInChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2
InChIKeyVWHSJZHUWWEFAC-UHFFFAOYSA-N
XLogP1.12
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.12
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-phenylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)ethanol (CID 2119463) is 2-(5-amino-3-phenylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-phenylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-phenylpyrazol-1-yl)ethanol is Nc1cc(-c2ccccc2)nn1CCO.
What is the InChIKey of 2-(5-amino-3-phenylpyrazol-1-yl)ethanol?
The InChIKey is VWHSJZHUWWEFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2.
What are the key properties of 2-(5-amino-3-phenylpyrazol-1-yl)ethanol?
2-(5-amino-3-phenylpyrazol-1-yl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.12, 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-phenylpyrazol-1-yl)ethanol is sourced from PubChem (CID 2119463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).