2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine

C12H22N4 — CID 79785793

IUPAC2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine
SMILESCCC1CNC(C)(C)CN1c1ccn(C)n1
InChIInChI=1S/C12H22N4/c1-5-10-8-13-12(2,3)9-16(10)11-6-7-15(4)14-11/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyDEGWAJSUPKLNEP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.39
Rot. Bonds2

About 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine

2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine (PubChem CID 79785793) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine
PubChem CID79785793
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine
SMILESCCC1CNC(C)(C)CN1c1ccn(C)n1
InChIInChI=1S/C12H22N4/c1-5-10-8-13-12(2,3)9-16(10)11-6-7-15(4)14-11/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyDEGWAJSUPKLNEP-UHFFFAOYSA-N
XLogP1.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine (CID 79785793) is 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine is CCC1CNC(C)(C)CN1c1ccn(C)n1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine?
The InChIKey is DEGWAJSUPKLNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10-8-13-12(2,3)9-16(10)11-6-7-15(4)14-11/h6-7,10,13H,5,8-9H2,1-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine?
2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine is sourced from PubChem (CID 79785793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).