4-ethyl-1-iodo-5-methylpyrazole

C6H9IN2 — CID 166707329

IUPAC4-ethyl-1-iodo-5-methylpyrazole
SMILESCCc1cnn(I)c1C
InChIInChI=1S/C6H9IN2/c1-3-6-4-8-9(7)5(6)2/h4H,3H2,1-2H3
InChIKeyDKZNWEWWDWLUPS-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.95
Rot. Bonds1

About 4-ethyl-1-iodo-5-methylpyrazole

4-ethyl-1-iodo-5-methylpyrazole (PubChem CID 166707329) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 4-ethyl-1-iodo-5-methylpyrazole.

Molecular Properties

Compound Name4-ethyl-1-iodo-5-methylpyrazole
PubChem CID166707329
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name4-ethyl-1-iodo-5-methylpyrazole
SMILESCCc1cnn(I)c1C
InChIInChI=1S/C6H9IN2/c1-3-6-4-8-9(7)5(6)2/h4H,3H2,1-2H3
InChIKeyDKZNWEWWDWLUPS-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.95
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 4-ethyl-1-iodo-5-methylpyrazole?
The IUPAC name of 4-ethyl-1-iodo-5-methylpyrazole (CID 166707329) is 4-ethyl-1-iodo-5-methylpyrazole.
What is the SMILES notation for 4-ethyl-1-iodo-5-methylpyrazole?
The canonical SMILES for 4-ethyl-1-iodo-5-methylpyrazole is CCc1cnn(I)c1C.
What is the InChIKey of 4-ethyl-1-iodo-5-methylpyrazole?
The InChIKey is DKZNWEWWDWLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2/c1-3-6-4-8-9(7)5(6)2/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-1-iodo-5-methylpyrazole?
4-ethyl-1-iodo-5-methylpyrazole has a molecular weight of 236.06 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-iodo-5-methylpyrazole is sourced from PubChem (CID 166707329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).