3-fluoro-4-iodo-1-methylpyrazole

C4H4FIN2 — CID 59173021

IUPAC3-fluoro-4-iodo-1-methylpyrazole
SMILESCn1cc(I)c(F)n1
InChIInChI=1S/C4H4FIN2/c1-8-2-3(6)4(5)7-8/h2H,1H3
InChIKeyOIUIOZHFZANROW-UHFFFAOYSA-N
MW225.99 g/mol
LogP1.16
Rot. Bonds

About 3-fluoro-4-iodo-1-methylpyrazole

3-fluoro-4-iodo-1-methylpyrazole (PubChem CID 59173021) has the molecular formula C4H4FIN2 and a molecular weight of 225.99 g/mol. Its IUPAC name is 3-fluoro-4-iodo-1-methylpyrazole.

Molecular Properties

Compound Name3-fluoro-4-iodo-1-methylpyrazole
PubChem CID59173021
Molecular FormulaC4H4FIN2
Molecular Weight225.99 g/mol
Exact Mass225.94
IUPAC Name3-fluoro-4-iodo-1-methylpyrazole
SMILESCn1cc(I)c(F)n1
InChIInChI=1S/C4H4FIN2/c1-8-2-3(6)4(5)7-8/h2H,1H3
InChIKeyOIUIOZHFZANROW-UHFFFAOYSA-N
XLogP1.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.99
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-iodo-1-methylpyrazole 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 3-fluoro-4-iodo-1-methylpyrazole?
The IUPAC name of 3-fluoro-4-iodo-1-methylpyrazole (CID 59173021) is 3-fluoro-4-iodo-1-methylpyrazole.
What is the SMILES notation for 3-fluoro-4-iodo-1-methylpyrazole?
The canonical SMILES for 3-fluoro-4-iodo-1-methylpyrazole is Cn1cc(I)c(F)n1.
What is the InChIKey of 3-fluoro-4-iodo-1-methylpyrazole?
The InChIKey is OIUIOZHFZANROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FIN2/c1-8-2-3(6)4(5)7-8/h2H,1H3.
What are the key properties of 3-fluoro-4-iodo-1-methylpyrazole?
3-fluoro-4-iodo-1-methylpyrazole has a molecular weight of 225.99 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-1-methylpyrazole is sourced from PubChem (CID 59173021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).