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

C12H15N3O — CID 82078985

IUPAC2-(5-amino-3-benzylpyrazol-1-yl)ethanol
SMILESNc1cc(Cc2ccccc2)nn1CCO
InChIInChI=1S/C12H15N3O/c13-12-9-11(14-15(12)6-7-16)8-10-4-2-1-3-5-10/h1-5,9,16H,6-8,13H2
InChIKeyVTQGRMKZQQMYTE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.05
Rot. Bonds4

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

2-(5-amino-3-benzylpyrazol-1-yl)ethanol (PubChem CID 82078985) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-amino-3-benzylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-benzylpyrazol-1-yl)ethanol
PubChem CID82078985
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-amino-3-benzylpyrazol-1-yl)ethanol
SMILESNc1cc(Cc2ccccc2)nn1CCO
InChIInChI=1S/C12H15N3O/c13-12-9-11(14-15(12)6-7-16)8-10-4-2-1-3-5-10/h1-5,9,16H,6-8,13H2
InChIKeyVTQGRMKZQQMYTE-UHFFFAOYSA-N
XLogP1.05
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-3-benzylpyrazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-benzylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-benzylpyrazol-1-yl)ethanol (CID 82078985) is 2-(5-amino-3-benzylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-benzylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-benzylpyrazol-1-yl)ethanol is Nc1cc(Cc2ccccc2)nn1CCO.
What is the InChIKey of 2-(5-amino-3-benzylpyrazol-1-yl)ethanol?
The InChIKey is VTQGRMKZQQMYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-12-9-11(14-15(12)6-7-16)8-10-4-2-1-3-5-10/h1-5,9,16H,6-8,13H2.
What are the key properties of 2-(5-amino-3-benzylpyrazol-1-yl)ethanol?
2-(5-amino-3-benzylpyrazol-1-yl)ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-benzylpyrazol-1-yl)ethanol is sourced from PubChem (CID 82078985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).