1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one

C7H13N3O2 — CID 131165993

IUPAC1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
SMILESCN1CC(NC2COC2)C(=O)N1
InChIInChI=1S/C7H13N3O2/c1-10-2-6(7(11)9-10)8-5-3-12-4-5/h5-6,8H,2-4H2,1H3,(H,9,11)
InChIKeyQYVBFDNKHGPIQN-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.68
Rot. Bonds2

About 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one

1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one (PubChem CID 131165993) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
PubChem CID131165993
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
SMILESCN1CC(NC2COC2)C(=O)N1
InChIInChI=1S/C7H13N3O2/c1-10-2-6(7(11)9-10)8-5-3-12-4-5/h5-6,8H,2-4H2,1H3,(H,9,11)
InChIKeyQYVBFDNKHGPIQN-UHFFFAOYSA-N
XLogP-1.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
CID 130892992
1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
CID 130933775
methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one
CID 130921644
2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 131026035
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155962141
3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
CID 70169107
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one
CID 130949349
3-[(1-methylpiperidin-3-yl)amino]pyrrolidin-2-one
CID 164647012
5-(oxetan-3-ylamino)piperidin-2-one
CID 63661229

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one?
The IUPAC name of 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one (CID 131165993) is 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one.
What is the SMILES notation for 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one?
The canonical SMILES for 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one is CN1CC(NC2COC2)C(=O)N1.
What is the InChIKey of 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one?
The InChIKey is QYVBFDNKHGPIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-10-2-6(7(11)9-10)8-5-3-12-4-5/h5-6,8H,2-4H2,1H3,(H,9,11).
What are the key properties of 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one?
1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one has a molecular weight of 171.20 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one is sourced from PubChem (CID 131165993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).