2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol

C6H10IN3O — CID 25313303

IUPAC2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1I
InChIInChI=1S/C6H10IN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3
InChIKeyUAMPDJBNAWCOLK-UHFFFAOYSA-N
MW267.07 g/mol
LogP0.37
Rot. Bonds2

About 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol

2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol (PubChem CID 25313303) has the molecular formula C6H10IN3O and a molecular weight of 267.07 g/mol. Its IUPAC name is 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol
PubChem CID25313303
Molecular FormulaC6H10IN3O
Molecular Weight267.07 g/mol
Exact Mass266.99
IUPAC Name2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1I
InChIInChI=1S/C6H10IN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3
InChIKeyUAMPDJBNAWCOLK-UHFFFAOYSA-N
XLogP0.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-amino-4-iodo-3-methylpyrazol-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-4-iodo-3-methylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol (CID 25313303) is 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol is Cc1nn(CCO)c(N)c1I.
What is the InChIKey of 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol?
The InChIKey is UAMPDJBNAWCOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3.
What are the key properties of 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol?
2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol has a molecular weight of 267.07 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-iodo-3-methylpyrazol-1-yl)ethanol is sourced from PubChem (CID 25313303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).