1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one

C9H18N4O — CID 130892992

IUPAC1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
SMILESCN1CCC(NC2CN(C)NC2=O)C1
InChIInChI=1S/C9H18N4O/c1-12-4-3-7(5-12)10-8-6-13(2)11-9(8)14/h7-8,10H,3-6H2,1-2H3,(H,11,14)
InChIKeyGNAZKVMWZGFQEH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.37
Rot. Bonds2

About 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one

1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one (PubChem CID 130892992) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
PubChem CID130892992
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
SMILESCN1CCC(NC2CN(C)NC2=O)C1
InChIInChI=1S/C9H18N4O/c1-12-4-3-7(5-12)10-8-6-13(2)11-9(8)14/h7-8,10H,3-6H2,1-2H3,(H,11,14)
InChIKeyGNAZKVMWZGFQEH-UHFFFAOYSA-N
XLogP-1.37
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
CID 131165993
3-[(1-methylpiperidin-3-yl)amino]pyrrolidin-2-one
CID 164647012
1-cyclohexyl-3-[(1-methylpyrrolidin-3-yl)amino]pyrrolidine-2,5-dione
CID 61462553
2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130979763
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 131026035
4-[(1-methylpyrrolidin-3-yl)amino]piperidine-1-carboxamide
CID 61462070
N-(1-methylpyrrolidin-3-yl)azepan-4-amine
CID 103981819
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
CID 166117554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one?
The IUPAC name of 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one (CID 130892992) is 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one.
What is the SMILES notation for 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one?
The canonical SMILES for 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one is CN1CCC(NC2CN(C)NC2=O)C1.
What is the InChIKey of 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one?
The InChIKey is GNAZKVMWZGFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-12-4-3-7(5-12)10-8-6-13(2)11-9(8)14/h7-8,10H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one?
1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one has a molecular weight of 198.27 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one is sourced from PubChem (CID 130892992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).