1-(1-methylpyrazol-3-yl)piperazin-2-one

C8H12N4O — CID 79487286

IUPAC1-(1-methylpyrazol-3-yl)piperazin-2-one
SMILESCn1ccc(N2CCNCC2=O)n1
InChIInChI=1S/C8H12N4O/c1-11-4-2-7(10-11)12-5-3-9-6-8(12)13/h2,4,9H,3,5-6H2,1H3
InChIKeyJUBJQFWOASDXBY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.64
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)piperazin-2-one

1-(1-methylpyrazol-3-yl)piperazin-2-one (PubChem CID 79487286) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)piperazin-2-one
PubChem CID79487286
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(1-methylpyrazol-3-yl)piperazin-2-one
SMILESCn1ccc(N2CCNCC2=O)n1
InChIInChI=1S/C8H12N4O/c1-11-4-2-7(10-11)12-5-3-9-6-8(12)13/h2,4,9H,3,5-6H2,1H3
InChIKeyJUBJQFWOASDXBY-UHFFFAOYSA-N
XLogP-0.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)piperazin-2-one (CID 79487286) is 1-(1-methylpyrazol-3-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)piperazin-2-one is Cn1ccc(N2CCNCC2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)piperazin-2-one?
The InChIKey is JUBJQFWOASDXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11-4-2-7(10-11)12-5-3-9-6-8(12)13/h2,4,9H,3,5-6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)piperazin-2-one?
1-(1-methylpyrazol-3-yl)piperazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)piperazin-2-one is sourced from PubChem (CID 79487286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).