2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one

C11H20N4O — CID 82509710

IUPAC2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one
SMILESCC1=NN(C)C(=O)C1CCN1CCNCC1
InChIInChI=1S/C11H20N4O/c1-9-10(11(16)14(2)13-9)3-6-15-7-4-12-5-8-15/h10,12H,3-8H2,1-2H3
InChIKeyMJFPIPIZELCIBA-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.25
Rot. Bonds3

About 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one

2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one (PubChem CID 82509710) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one
PubChem CID82509710
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one
SMILESCC1=NN(C)C(=O)C1CCN1CCNCC1
InChIInChI=1S/C11H20N4O/c1-9-10(11(16)14(2)13-9)3-6-15-7-4-12-5-8-15/h10,12H,3-8H2,1-2H3
InChIKeyMJFPIPIZELCIBA-UHFFFAOYSA-N
XLogP-0.25
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one (CID 82509710) is 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one is CC1=NN(C)C(=O)C1CCN1CCNCC1.
What is the InChIKey of 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
The InChIKey is MJFPIPIZELCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-10(11(16)14(2)13-9)3-6-15-7-4-12-5-8-15/h10,12H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one?
2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one has a molecular weight of 224.31 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-piperazin-1-ylethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 82509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).