1-ethenyl-4-iodopyrazole

C5H5IN2 — CID 37134541

IUPAC1-ethenyl-4-iodopyrazole
SMILESC=Cn1cc(I)cn1
InChIInChI=1S/C5H5IN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKeyZBUGBGHFOYSENG-UHFFFAOYSA-N
MW220.01 g/mol
LogP1.59
Rot. Bonds1

About 1-ethenyl-4-iodopyrazole

1-ethenyl-4-iodopyrazole (PubChem CID 37134541) has the molecular formula C5H5IN2 and a molecular weight of 220.01 g/mol. Its IUPAC name is 1-ethenyl-4-iodopyrazole.

Molecular Properties

Compound Name1-ethenyl-4-iodopyrazole
PubChem CID37134541
Molecular FormulaC5H5IN2
Molecular Weight220.01 g/mol
Exact Mass219.95
IUPAC Name1-ethenyl-4-iodopyrazole
SMILESC=Cn1cc(I)cn1
InChIInChI=1S/C5H5IN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKeyZBUGBGHFOYSENG-UHFFFAOYSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 51.59
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-ethenyl-4-iodopyrazole?
The IUPAC name of 1-ethenyl-4-iodopyrazole (CID 37134541) is 1-ethenyl-4-iodopyrazole.
What is the SMILES notation for 1-ethenyl-4-iodopyrazole?
The canonical SMILES for 1-ethenyl-4-iodopyrazole is C=Cn1cc(I)cn1.
What is the InChIKey of 1-ethenyl-4-iodopyrazole?
The InChIKey is ZBUGBGHFOYSENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2.
What are the key properties of 1-ethenyl-4-iodopyrazole?
1-ethenyl-4-iodopyrazole has a molecular weight of 220.01 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-iodopyrazole is sourced from PubChem (CID 37134541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).