1-(1-ethoxyethyl)-4-iodopyrazole

C7H11IN2O — CID 4640409

IUPAC1-(1-ethoxyethyl)-4-iodopyrazole
SMILESCCOC(C)n1cc(I)cn1
InChIInChI=1S/C7H11IN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChIKeyXPDWYXNGYUFNEG-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.04
Rot. Bonds3

About 1-(1-ethoxyethyl)-4-iodopyrazole

1-(1-ethoxyethyl)-4-iodopyrazole (PubChem CID 4640409) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-4-iodopyrazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-4-iodopyrazole
PubChem CID4640409
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name1-(1-ethoxyethyl)-4-iodopyrazole
SMILESCCOC(C)n1cc(I)cn1
InChIInChI=1S/C7H11IN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChIKeyXPDWYXNGYUFNEG-UHFFFAOYSA-N
XLogP2.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-ethoxyethyl)-4-iodopyrazole?
The IUPAC name of 1-(1-ethoxyethyl)-4-iodopyrazole (CID 4640409) is 1-(1-ethoxyethyl)-4-iodopyrazole.
What is the SMILES notation for 1-(1-ethoxyethyl)-4-iodopyrazole?
The canonical SMILES for 1-(1-ethoxyethyl)-4-iodopyrazole is CCOC(C)n1cc(I)cn1.
What is the InChIKey of 1-(1-ethoxyethyl)-4-iodopyrazole?
The InChIKey is XPDWYXNGYUFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)-4-iodopyrazole?
1-(1-ethoxyethyl)-4-iodopyrazole has a molecular weight of 266.08 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-4-iodopyrazole is sourced from PubChem (CID 4640409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).