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

C11H20N2O2 — CID 25247423

IUPAC1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole
SMILESCCOC(Cn1nc(C)cc1C)OCC
InChIInChI=1S/C11H20N2O2/c1-5-14-11(15-6-2)8-13-10(4)7-9(3)12-13/h7,11H,5-6,8H2,1-4H3
InChIKeyUADNAQKXUCTGGS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.90
Rot. Bonds6

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

1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole (PubChem CID 25247423) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole
PubChem CID25247423
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole
SMILESCCOC(Cn1nc(C)cc1C)OCC
InChIInChI=1S/C11H20N2O2/c1-5-14-11(15-6-2)8-13-10(4)7-9(3)12-13/h7,11H,5-6,8H2,1-4H3
InChIKeyUADNAQKXUCTGGS-UHFFFAOYSA-N
XLogP1.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.90
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)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole (CID 25247423) is 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole is CCOC(Cn1nc(C)cc1C)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole?
The InChIKey is UADNAQKXUCTGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-14-11(15-6-2)8-13-10(4)7-9(3)12-13/h7,11H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole?
1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole has a molecular weight of 212.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 25247423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).