3-(1-methylpyrazol-4-yl)piperazin-2-one

C8H12N4O — CID 62349814

IUPAC3-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(C2NCCNC2=O)cn1
InChIInChI=1S/C8H12N4O/c1-12-5-6(4-11-12)7-8(13)10-3-2-9-7/h4-5,7,9H,2-3H2,1H3,(H,10,13)
InChIKeyLUWBVCUIWAYWIK-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.82
Rot. Bonds1

About 3-(1-methylpyrazol-4-yl)piperazin-2-one

3-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 62349814) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID62349814
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(C2NCCNC2=O)cn1
InChIInChI=1S/C8H12N4O/c1-12-5-6(4-11-12)7-8(13)10-3-2-9-7/h4-5,7,9H,2-3H2,1H3,(H,10,13)
InChIKeyLUWBVCUIWAYWIK-UHFFFAOYSA-N
XLogP-0.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
2-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 75480342
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 75428135
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methylacetamide
CID 50968875
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 56881515
rac-(5R,6S)-5-amino-6-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 75525015
2-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-N-(2-sulfanylethyl)acetamide
CID 177680125
tert-butyl 3-(1-methyl-1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 75422429
2-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 53618326
(5S)-5-amino-6-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 71755430
N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-(1-piperidinyl)butanamide
CID 72838842

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)piperazin-2-one (CID 62349814) is 3-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(C2NCCNC2=O)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is LUWBVCUIWAYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-5-6(4-11-12)7-8(13)10-3-2-9-7/h4-5,7,9H,2-3H2,1H3,(H,10,13).
What are the key properties of 3-(1-methylpyrazol-4-yl)piperazin-2-one?
3-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 62349814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).