5-ethenyl-1-iodo-4-methylpyrazole

C6H7IN2 — CID 166816749

IUPAC5-ethenyl-1-iodo-4-methylpyrazole
SMILESC=Cc1c(C)cnn1I
InChIInChI=1S/C6H7IN2/c1-3-6-5(2)4-8-9(6)7/h3-4H,1H2,2H3
InChIKeyNDJRSAQRMFXERX-UHFFFAOYSA-N
MW234.04 g/mol
LogP2.03
Rot. Bonds1

About 5-ethenyl-1-iodo-4-methylpyrazole

5-ethenyl-1-iodo-4-methylpyrazole (PubChem CID 166816749) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 5-ethenyl-1-iodo-4-methylpyrazole.

Molecular Properties

Compound Name5-ethenyl-1-iodo-4-methylpyrazole
PubChem CID166816749
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name5-ethenyl-1-iodo-4-methylpyrazole
SMILESC=Cc1c(C)cnn1I
InChIInChI=1S/C6H7IN2/c1-3-6-5(2)4-8-9(6)7/h3-4H,1H2,2H3
InChIKeyNDJRSAQRMFXERX-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 52.03
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 5-ethenyl-1-iodo-4-methylpyrazole?
The IUPAC name of 5-ethenyl-1-iodo-4-methylpyrazole (CID 166816749) is 5-ethenyl-1-iodo-4-methylpyrazole.
What is the SMILES notation for 5-ethenyl-1-iodo-4-methylpyrazole?
The canonical SMILES for 5-ethenyl-1-iodo-4-methylpyrazole is C=Cc1c(C)cnn1I.
What is the InChIKey of 5-ethenyl-1-iodo-4-methylpyrazole?
The InChIKey is NDJRSAQRMFXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c1-3-6-5(2)4-8-9(6)7/h3-4H,1H2,2H3.
What are the key properties of 5-ethenyl-1-iodo-4-methylpyrazole?
5-ethenyl-1-iodo-4-methylpyrazole has a molecular weight of 234.04 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-iodo-4-methylpyrazole is sourced from PubChem (CID 166816749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).