2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium

C8H15N2O+ — CID 151795755

IUPAC2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium
SMILESCCOCn1c(C)cc[n+]1C
InChIInChI=1S/C8H15N2O/c1-4-11-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3/q+1
InChIKeyRXOICCXKRMFIHL-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.62
Rot. Bonds3

About 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium

2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium (PubChem CID 151795755) has the molecular formula C8H15N2O+ and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium
PubChem CID151795755
Molecular FormulaC8H15N2O+
Molecular Weight155.22 g/mol
Exact Mass155.12
IUPAC Name2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium
SMILESCCOCn1c(C)cc[n+]1C
InChIInChI=1S/C8H15N2O/c1-4-11-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3/q+1
InChIKeyRXOICCXKRMFIHL-UHFFFAOYSA-N
XLogP0.62
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.62
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 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium?
The IUPAC name of 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium (CID 151795755) is 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium.
What is the SMILES notation for 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium?
The canonical SMILES for 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium is CCOCn1c(C)cc[n+]1C.
What is the InChIKey of 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium?
The InChIKey is RXOICCXKRMFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O/c1-4-11-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3/q+1.
What are the key properties of 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium?
2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium has a molecular weight of 155.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,3-dimethylpyrazol-1-ium is sourced from PubChem (CID 151795755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).