1,5-diethyl-3,4-dimethylpyrazole;ethane

C11H22N2 — CID 177243767

IUPAC1,5-diethyl-3,4-dimethylpyrazole;ethane
SMILESCC.CCc1c(C)c(C)nn1CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-9-7(3)8(4)10-11(9)6-2;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyVPTKNEJEYRCAEM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.11
Rot. Bonds2

About 1,5-diethyl-3,4-dimethylpyrazole;ethane

1,5-diethyl-3,4-dimethylpyrazole;ethane (PubChem CID 177243767) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,5-diethyl-3,4-dimethylpyrazole;ethane.

Molecular Properties

Compound Name1,5-diethyl-3,4-dimethylpyrazole;ethane
PubChem CID177243767
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,5-diethyl-3,4-dimethylpyrazole;ethane
SMILESCC.CCc1c(C)c(C)nn1CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-9-7(3)8(4)10-11(9)6-2;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyVPTKNEJEYRCAEM-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3,4-dimethylpyrazole;ethane?
The IUPAC name of 1,5-diethyl-3,4-dimethylpyrazole;ethane (CID 177243767) is 1,5-diethyl-3,4-dimethylpyrazole;ethane.
What is the SMILES notation for 1,5-diethyl-3,4-dimethylpyrazole;ethane?
The canonical SMILES for 1,5-diethyl-3,4-dimethylpyrazole;ethane is CC.CCc1c(C)c(C)nn1CC.
What is the InChIKey of 1,5-diethyl-3,4-dimethylpyrazole;ethane?
The InChIKey is VPTKNEJEYRCAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-5-9-7(3)8(4)10-11(9)6-2;1-2/h5-6H2,1-4H3;1-2H3.
What are the key properties of 1,5-diethyl-3,4-dimethylpyrazole;ethane?
1,5-diethyl-3,4-dimethylpyrazole;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3,4-dimethylpyrazole;ethane is sourced from PubChem (CID 177243767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).