3-iodo-1-(2-methoxyethyl)pyrazole

C6H9IN2O — CID 79788054

IUPAC3-iodo-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ccc(I)n1
InChIInChI=1S/C6H9IN2O/c1-10-5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3
InChIKeyCAHFGNSOQYYHHL-UHFFFAOYSA-N
MW252.05 g/mol
LogP1.13
Rot. Bonds3

About 3-iodo-1-(2-methoxyethyl)pyrazole

3-iodo-1-(2-methoxyethyl)pyrazole (PubChem CID 79788054) has the molecular formula C6H9IN2O and a molecular weight of 252.05 g/mol. Its IUPAC name is 3-iodo-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name3-iodo-1-(2-methoxyethyl)pyrazole
PubChem CID79788054
Molecular FormulaC6H9IN2O
Molecular Weight252.05 g/mol
Exact Mass251.98
IUPAC Name3-iodo-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ccc(I)n1
InChIInChI=1S/C6H9IN2O/c1-10-5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3
InChIKeyCAHFGNSOQYYHHL-UHFFFAOYSA-N
XLogP1.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 51.13
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

ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-iodopyrazole
CID 104568890
3-iodo-1-octylpyrazole
CID 79787122
1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine
CID 158647054
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
4-iodo-1-(2-methoxyethyl)-3-methylpyrazole
CID 146412527
3-iodo-1-(2-propylsulfonylethyl)pyrazole
CID 106735165
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144
N-(2-ethylbutyl)-1-(2-methoxyethyl)pyrazol-3-amine
CID 115756836
3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
CID 103019424
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 3-iodo-1-(2-methoxyethyl)pyrazole (CID 79788054) is 3-iodo-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 3-iodo-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 3-iodo-1-(2-methoxyethyl)pyrazole is COCCn1ccc(I)n1.
What is the InChIKey of 3-iodo-1-(2-methoxyethyl)pyrazole?
The InChIKey is CAHFGNSOQYYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O/c1-10-5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3.
What are the key properties of 3-iodo-1-(2-methoxyethyl)pyrazole?
3-iodo-1-(2-methoxyethyl)pyrazole has a molecular weight of 252.05 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 79788054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).