1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium

C8H15N2O+ — CID 121348520

IUPAC1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium
SMILESCCn1c(C)cc(OC)[n+]1C
InChIInChI=1S/C8H15N2O/c1-5-10-7(2)6-8(11-4)9(10)3/h6H,5H2,1-4H3/q+1
InChIKeyJBZWFPACOFUVBD-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.65
Rot. Bonds2

About 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium

1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium (PubChem CID 121348520) has the molecular formula C8H15N2O+ and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium.

Molecular Properties

Compound Name1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium
PubChem CID121348520
Molecular FormulaC8H15N2O+
Molecular Weight155.22 g/mol
Exact Mass155.12
IUPAC Name1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium
SMILESCCn1c(C)cc(OC)[n+]1C
InChIInChI=1S/C8H15N2O/c1-5-10-7(2)6-8(11-4)9(10)3/h6H,5H2,1-4H3/q+1
InChIKeyJBZWFPACOFUVBD-UHFFFAOYSA-N
XLogP0.65
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.65
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-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium?
The IUPAC name of 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium (CID 121348520) is 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium.
What is the SMILES notation for 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium?
The canonical SMILES for 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium is CCn1c(C)cc(OC)[n+]1C.
What is the InChIKey of 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium?
The InChIKey is JBZWFPACOFUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O/c1-5-10-7(2)6-8(11-4)9(10)3/h6H,5H2,1-4H3/q+1.
What are the key properties of 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium?
1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium has a molecular weight of 155.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-2,5-dimethylpyrazol-2-ium is sourced from PubChem (CID 121348520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).