3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one

C9H14N4O — CID 79583481

IUPAC3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one
SMILESCc1c(C2NCCNC2=O)cnn1C
InChIInChI=1S/C9H14N4O/c1-6-7(5-12-13(6)2)8-9(14)11-4-3-10-8/h5,8,10H,3-4H2,1-2H3,(H,11,14)
InChIKeyDBKPLKBTDFIBBE-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.51
Rot. Bonds1

About 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one

3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one (PubChem CID 79583481) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one
PubChem CID79583481
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one
SMILESCc1c(C2NCCNC2=O)cnn1C
InChIInChI=1S/C9H14N4O/c1-6-7(5-12-13(6)2)8-9(14)11-4-3-10-8/h5,8,10H,3-4H2,1-2H3,(H,11,14)
InChIKeyDBKPLKBTDFIBBE-UHFFFAOYSA-N
XLogP-0.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one (CID 79583481) is 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one is Cc1c(C2NCCNC2=O)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one?
The InChIKey is DBKPLKBTDFIBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-7(5-12-13(6)2)8-9(14)11-4-3-10-8/h5,8,10H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one?
3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 79583481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).