2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol

C11H12IN3O — CID 43348875

IUPAC2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(I)cc2)nn1CCO
InChIInChI=1S/C11H12IN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2
InChIKeyLSFGCVDNWLUCEH-UHFFFAOYSA-N
MW329.14 g/mol
LogP1.73
Rot. Bonds3

About 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol (PubChem CID 43348875) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol
PubChem CID43348875
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(I)cc2)nn1CCO
InChIInChI=1S/C11H12IN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2
InChIKeyLSFGCVDNWLUCEH-UHFFFAOYSA-N
XLogP1.73
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol (CID 43348875) is 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol is Nc1cc(-c2ccc(I)cc2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol?
The InChIKey is LSFGCVDNWLUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c12-9-3-1-8(2-4-9)10-7-11(13)15(14-10)5-6-16/h1-4,7,16H,5-6,13H2.
What are the key properties of 2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol has a molecular weight of 329.14 g/mol, XLogP of 1.73, 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-(4-iodophenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43348875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).