1-ethyl-5-fluoro-4-iodopyrazole

C5H6FIN2 — CID 71833013

IUPAC1-ethyl-5-fluoro-4-iodopyrazole
SMILESCCn1ncc(I)c1F
InChIInChI=1S/C5H6FIN2/c1-2-9-5(6)4(7)3-8-9/h3H,2H2,1H3
InChIKeyGNGIUJOCVFGJLH-UHFFFAOYSA-N
MW240.02 g/mol
LogP1.65
Rot. Bonds1

About 1-ethyl-5-fluoro-4-iodopyrazole

1-ethyl-5-fluoro-4-iodopyrazole (PubChem CID 71833013) has the molecular formula C5H6FIN2 and a molecular weight of 240.02 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-4-iodopyrazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-4-iodopyrazole
PubChem CID71833013
Molecular FormulaC5H6FIN2
Molecular Weight240.02 g/mol
Exact Mass239.96
IUPAC Name1-ethyl-5-fluoro-4-iodopyrazole
SMILESCCn1ncc(I)c1F
InChIInChI=1S/C5H6FIN2/c1-2-9-5(6)4(7)3-8-9/h3H,2H2,1H3
InChIKeyGNGIUJOCVFGJLH-UHFFFAOYSA-N
XLogP1.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-4-iodopyrazole?
The IUPAC name of 1-ethyl-5-fluoro-4-iodopyrazole (CID 71833013) is 1-ethyl-5-fluoro-4-iodopyrazole.
What is the SMILES notation for 1-ethyl-5-fluoro-4-iodopyrazole?
The canonical SMILES for 1-ethyl-5-fluoro-4-iodopyrazole is CCn1ncc(I)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-4-iodopyrazole?
The InChIKey is GNGIUJOCVFGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FIN2/c1-2-9-5(6)4(7)3-8-9/h3H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-4-iodopyrazole?
1-ethyl-5-fluoro-4-iodopyrazole has a molecular weight of 240.02 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-4-iodopyrazole is sourced from PubChem (CID 71833013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).