1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine

C11H20N4 — CID 102807589

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine
SMILESCCC1CN(c2cn(C)nc2C)CCN1
InChIInChI=1S/C11H20N4/c1-4-10-7-15(6-5-12-10)11-8-14(3)13-9(11)2/h8,10,12H,4-7H2,1-3H3
InChIKeyIOUPZYUKNLHEQK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.92
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine

1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine (PubChem CID 102807589) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine
PubChem CID102807589
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine
SMILESCCC1CN(c2cn(C)nc2C)CCN1
InChIInChI=1S/C11H20N4/c1-4-10-7-15(6-5-12-10)11-8-14(3)13-9(11)2/h8,10,12H,4-7H2,1-3H3
InChIKeyIOUPZYUKNLHEQK-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine (CID 102807589) is 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine is CCC1CN(c2cn(C)nc2C)CCN1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine?
The InChIKey is IOUPZYUKNLHEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-10-7-15(6-5-12-10)11-8-14(3)13-9(11)2/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine?
1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine has a molecular weight of 208.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-ethylpiperazine is sourced from PubChem (CID 102807589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).