1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine

C11H20N4 — CID 117124669

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine
SMILESCCn1nc(C)c(N2CCNCC2)c1C
InChIInChI=1S/C11H20N4/c1-4-15-10(3)11(9(2)13-15)14-7-5-12-6-8-14/h12H,4-8H2,1-3H3
InChIKeyVJEHVISDQKFSTE-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.93
Rot. Bonds2

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine (PubChem CID 117124669) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine
PubChem CID117124669
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine
SMILESCCn1nc(C)c(N2CCNCC2)c1C
InChIInChI=1S/C11H20N4/c1-4-15-10(3)11(9(2)13-15)14-7-5-12-6-8-14/h12H,4-8H2,1-3H3
InChIKeyVJEHVISDQKFSTE-UHFFFAOYSA-N
XLogP0.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine (CID 117124669) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine is CCn1nc(C)c(N2CCNCC2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine?
The InChIKey is VJEHVISDQKFSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-15-10(3)11(9(2)13-15)14-7-5-12-6-8-14/h12H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperazine is sourced from PubChem (CID 117124669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).