1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine

C13H24N4 — CID 84594416

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine
SMILESCCn1cc(CN2CCN(C)CC2(C)C)cn1
InChIInChI=1S/C13H24N4/c1-5-17-10-12(8-14-17)9-16-7-6-15(4)11-13(16,2)3/h8,10H,5-7,9,11H2,1-4H3
InChIKeyONYMZORDQNSJNW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.43
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine

1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine (PubChem CID 84594416) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine
PubChem CID84594416
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine
SMILESCCn1cc(CN2CCN(C)CC2(C)C)cn1
InChIInChI=1S/C13H24N4/c1-5-17-10-12(8-14-17)9-16-7-6-15(4)11-13(16,2)3/h8,10H,5-7,9,11H2,1-4H3
InChIKeyONYMZORDQNSJNW-UHFFFAOYSA-N
XLogP1.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine (CID 84594416) is 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine is CCn1cc(CN2CCN(C)CC2(C)C)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine?
The InChIKey is ONYMZORDQNSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-17-10-12(8-14-17)9-16-7-6-15(4)11-13(16,2)3/h8,10H,5-7,9,11H2,1-4H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine?
1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-2,2,4-trimethylpiperazine is sourced from PubChem (CID 84594416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).