1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole

C13H24N2O2 — CID 51342213

IUPAC1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCOC(Cn1nc(C)c(CC)c1C)OCC
InChIInChI=1S/C13H24N2O2/c1-6-12-10(4)14-15(11(12)5)9-13(16-7-2)17-8-3/h13H,6-9H2,1-5H3
InChIKeyFPFZYYLOMPTRIM-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.46
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole

1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole (PubChem CID 51342213) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole
PubChem CID51342213
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCOC(Cn1nc(C)c(CC)c1C)OCC
InChIInChI=1S/C13H24N2O2/c1-6-12-10(4)14-15(11(12)5)9-13(16-7-2)17-8-3/h13H,6-9H2,1-5H3
InChIKeyFPFZYYLOMPTRIM-UHFFFAOYSA-N
XLogP2.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole (CID 51342213) is 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole is CCOC(Cn1nc(C)c(CC)c1C)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole?
The InChIKey is FPFZYYLOMPTRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-12-10(4)14-15(11(12)5)9-13(16-7-2)17-8-3/h13H,6-9H2,1-5H3.
What are the key properties of 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole?
1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole has a molecular weight of 240.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-4-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 51342213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).