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

C12H22N4 — CID 7175809

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1nc(C)c(CN2CCNCC2)c1C
InChIInChI=1S/C12H22N4/c1-4-16-11(3)12(10(2)14-16)9-15-7-5-13-6-8-15/h13H,4-9H2,1-3H3
InChIKeyKCZKNOAHLBHRNC-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.93
Rot. Bonds3

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

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 7175809) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID7175809
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCCn1nc(C)c(CN2CCNCC2)c1C
InChIInChI=1S/C12H22N4/c1-4-16-11(3)12(10(2)14-16)9-15-7-5-13-6-8-15/h13H,4-9H2,1-3H3
InChIKeyKCZKNOAHLBHRNC-UHFFFAOYSA-N
XLogP0.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
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)methyl]piperazine?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine (CID 7175809) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine is CCn1nc(C)c(CN2CCNCC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is KCZKNOAHLBHRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-16-11(3)12(10(2)14-16)9-15-7-5-13-6-8-15/h13H,4-9H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 0.93, 3 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)methyl]piperazine is sourced from PubChem (CID 7175809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).