4-iodo-1-(2-methoxyethyl)-3-methylpyrazole

C7H11IN2O — CID 146412527

IUPAC4-iodo-1-(2-methoxyethyl)-3-methylpyrazole
SMILESCOCCn1cc(I)c(C)n1
InChIInChI=1S/C7H11IN2O/c1-6-7(8)5-10(9-6)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyASBAKDNQYHMNTR-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.44
Rot. Bonds3

About 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole

4-iodo-1-(2-methoxyethyl)-3-methylpyrazole (PubChem CID 146412527) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole.

Molecular Properties

Compound Name4-iodo-1-(2-methoxyethyl)-3-methylpyrazole
PubChem CID146412527
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name4-iodo-1-(2-methoxyethyl)-3-methylpyrazole
SMILESCOCCn1cc(I)c(C)n1
InChIInChI=1S/C7H11IN2O/c1-6-7(8)5-10(9-6)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyASBAKDNQYHMNTR-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole?
The IUPAC name of 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole (CID 146412527) is 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole.
What is the SMILES notation for 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole?
The canonical SMILES for 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole is COCCn1cc(I)c(C)n1.
What is the InChIKey of 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole?
The InChIKey is ASBAKDNQYHMNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-6-7(8)5-10(9-6)3-4-11-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole?
4-iodo-1-(2-methoxyethyl)-3-methylpyrazole has a molecular weight of 266.08 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(2-methoxyethyl)-3-methylpyrazole is sourced from PubChem (CID 146412527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).