4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one

C12H25N5O — CID 23104221

IUPAC4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one
SMILESCCN1C(=O)C(N)C(N2CCN(C)CC2)N1CC
InChIInChI=1S/C12H25N5O/c1-4-16-11(10(13)12(18)17(16)5-2)15-8-6-14(3)7-9-15/h10-11H,4-9,13H2,1-3H3
InChIKeyVJVGBXMOOUZNHR-UHFFFAOYSA-N
MW255.37 g/mol
LogP-1.01
Rot. Bonds3

About 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one

4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one (PubChem CID 23104221) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one
PubChem CID23104221
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one
SMILESCCN1C(=O)C(N)C(N2CCN(C)CC2)N1CC
InChIInChI=1S/C12H25N5O/c1-4-16-11(10(13)12(18)17(16)5-2)15-8-6-14(3)7-9-15/h10-11H,4-9,13H2,1-3H3
InChIKeyVJVGBXMOOUZNHR-UHFFFAOYSA-N
XLogP-1.01
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one?
The IUPAC name of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one (CID 23104221) is 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one.
What is the SMILES notation for 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one?
The canonical SMILES for 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one is CCN1C(=O)C(N)C(N2CCN(C)CC2)N1CC.
What is the InChIKey of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one?
The InChIKey is VJVGBXMOOUZNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-4-16-11(10(13)12(18)17(16)5-2)15-8-6-14(3)7-9-15/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one?
4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one has a molecular weight of 255.37 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one is sourced from PubChem (CID 23104221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).