1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole

C7H10FIN2O — CID 164664688

IUPAC1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole
SMILESCCOC(C)n1cc(I)c(F)n1
InChIInChI=1S/C7H10FIN2O/c1-3-12-5(2)11-4-6(9)7(8)10-11/h4-5H,3H2,1-2H3
InChIKeyCWUSKPGGXREGLI-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.18
Rot. Bonds3

About 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole

1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole (PubChem CID 164664688) has the molecular formula C7H10FIN2O and a molecular weight of 284.07 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole
PubChem CID164664688
Molecular FormulaC7H10FIN2O
Molecular Weight284.07 g/mol
Exact Mass283.98
IUPAC Name1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole
SMILESCCOC(C)n1cc(I)c(F)n1
InChIInChI=1S/C7H10FIN2O/c1-3-12-5(2)11-4-6(9)7(8)10-11/h4-5H,3H2,1-2H3
InChIKeyCWUSKPGGXREGLI-UHFFFAOYSA-N
XLogP2.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxyethyl)-4-bromo-1H-pyrazole
CID 4640410
1-(1-Ethoxyethyl)-1H-pyrazole
CID 46941562
3-Fluoro-4-iodo-1-methyl-pyrazole
CID 59173021
4-fluoro-5-iodo-1-methyl-1H-pyrazole
CID 68209605
1-ethyl-5-fluoro-4-iodo-1H-pyrazole
CID 71833013
5-fluoro-4-iodo-1-(propan-2-yl)-1H-pyrazole
CID 90419720
5-fluoro-4-iodo-1-methyl-1H-pyrazole
CID 145711007
4-fluoro-3-iodo-1-methyl-1H-Pyrazole
CID 166793410
1-(1-Ethoxyethyl)-4-iodo-1H-pyrazole
CID 4640409
5-fluoro-4-iodo-1-(oxan-4-yl)-1H-pyrazole
CID 177799370
4-Iodo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazole
CID 21707090
4-iodo-1-propyl-1H-pyrazole
CID 60136632

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole?
The IUPAC name of 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole (CID 164664688) is 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole.
What is the SMILES notation for 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole?
The canonical SMILES for 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole is CCOC(C)n1cc(I)c(F)n1.
What is the InChIKey of 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole?
The InChIKey is CWUSKPGGXREGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FIN2O/c1-3-12-5(2)11-4-6(9)7(8)10-11/h4-5H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole?
1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole has a molecular weight of 284.07 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-3-fluoro-4-iodopyrazole is sourced from PubChem (CID 164664688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).