1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one

C12H18N4O2 — CID 51076824

IUPAC1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-10(16-5-3-4-13-16)12(18)15-8-6-14(7-9-15)11(2)17/h3-5,10H,6-9H2,1-2H3
InChIKeyQSLKJVAGPGTELE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.13
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one

1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one (PubChem CID 51076824) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
PubChem CID51076824
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-10(16-5-3-4-13-16)12(18)15-8-6-14(7-9-15)11(2)17/h3-5,10H,6-9H2,1-2H3
InChIKeyQSLKJVAGPGTELE-UHFFFAOYSA-N
XLogP0.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one (CID 51076824) is 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one is CC(=O)N1CCN(C(=O)C(C)n2cccn2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one?
The InChIKey is QSLKJVAGPGTELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10(16-5-3-4-13-16)12(18)15-8-6-14(7-9-15)11(2)17/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one?
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 51076824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).