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

C10H19N2O+ — CID 68588773

IUPAC1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium
SMILESCOCCn1c(C)c(C)c(C)[n+]1C
InChIInChI=1S/C10H19N2O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h6-7H2,1-5H3/q+1
InChIKeyJVYRJUBQMSEJFC-UHFFFAOYSA-N
MW183.27 g/mol
LogP0.88
Rot. Bonds3

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

1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium (PubChem CID 68588773) has the molecular formula C10H19N2O+ and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium
PubChem CID68588773
Molecular FormulaC10H19N2O+
Molecular Weight183.27 g/mol
Exact Mass183.15
IUPAC Name1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium
SMILESCOCCn1c(C)c(C)c(C)[n+]1C
InChIInChI=1S/C10H19N2O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h6-7H2,1-5H3/q+1
InChIKeyJVYRJUBQMSEJFC-UHFFFAOYSA-N
XLogP0.88
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 50.88
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-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
The IUPAC name of 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium (CID 68588773) is 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
The canonical SMILES for 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium is COCCn1c(C)c(C)c(C)[n+]1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
The InChIKey is JVYRJUBQMSEJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h6-7H2,1-5H3/q+1.
What are the key properties of 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium?
1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium has a molecular weight of 183.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,3,4,5-tetramethylpyrazol-2-ium is sourced from PubChem (CID 68588773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).