1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium

C10H19N2O+ — CID 68588772

IUPAC1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium
SMILESCOC(C)n1c(C)c(C)c(C)[n+]1C
InChIInChI=1S/C10H19N2O/c1-7-8(2)11(5)12(9(7)3)10(4)13-6/h10H,1-6H3/q+1
InChIKeyFEODCQPGVCPCFT-UHFFFAOYSA-N
MW183.27 g/mol
LogP1.40
Rot. Bonds2

About 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium

1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium (PubChem CID 68588772) has the molecular formula C10H19N2O+ and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium.

Molecular Properties

Compound Name1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium
PubChem CID68588772
Molecular FormulaC10H19N2O+
Molecular Weight183.27 g/mol
Exact Mass183.15
IUPAC Name1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium
SMILESCOC(C)n1c(C)c(C)c(C)[n+]1C
InChIInChI=1S/C10H19N2O/c1-7-8(2)11(5)12(9(7)3)10(4)13-6/h10H,1-6H3/q+1
InChIKeyFEODCQPGVCPCFT-UHFFFAOYSA-N
XLogP1.40
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
The IUPAC name of 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium (CID 68588772) is 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium.
What is the SMILES notation for 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
The canonical SMILES for 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium is COC(C)n1c(C)c(C)c(C)[n+]1C.
What is the InChIKey of 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
The InChIKey is FEODCQPGVCPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O/c1-7-8(2)11(5)12(9(7)3)10(4)13-6/h10H,1-6H3/q+1.
What are the key properties of 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium has a molecular weight of 183.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium is sourced from PubChem (CID 68588772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).