1-methyl-2-propan-2-ylpyrazolidin-3-one

C7H14N2O — CID 69003084

IUPAC1-methyl-2-propan-2-ylpyrazolidin-3-one
SMILESCC(C)N1C(=O)CCN1C
InChIInChI=1S/C7H14N2O/c1-6(2)9-7(10)4-5-8(9)3/h6H,4-5H2,1-3H3
InChIKeyQPXGVLIMKXCPCY-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.47
Rot. Bonds1

About 1-methyl-2-propan-2-ylpyrazolidin-3-one

1-methyl-2-propan-2-ylpyrazolidin-3-one (PubChem CID 69003084) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylpyrazolidin-3-one
PubChem CID69003084
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-methyl-2-propan-2-ylpyrazolidin-3-one
SMILESCC(C)N1C(=O)CCN1C
InChIInChI=1S/C7H14N2O/c1-6(2)9-7(10)4-5-8(9)3/h6H,4-5H2,1-3H3
InChIKeyQPXGVLIMKXCPCY-UHFFFAOYSA-N
XLogP0.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-propan-2-ylpyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dimethylpyrazolidinone
CID 15173886
1-(2-Methylpyrazolidin-1-yl)ethan-1-one
CID 71419460
1,2,4,4-Tetramethylpyrazolidin-3-one
CID 54403785
1-Methyl-2-pent-2-ynylpyrazolidin-3-one
CID 42644209
1,2-Dipropylpyrazolidine-3,5-dione
CID 9899023
1,2-Di(propan-2-yl)pyrazolidin-3-one
CID 12066843
1,2,5-Trimethylpyrazolidin-3-one
CID 15173888
1,1'-(Pyrazolidine-1,2-diyl)diethanone
CID 15528871
1-Acetyl-2-methylpyrazolidin-3-one
CID 18183469
1-Propan-2-yl-4,5-dihydrotriazin-6-one
CID 20785820
1,2,4-Trimethylpyrazolidin-3-one
CID 21817258
1,2-Diethylpyrazolidin-3-one
CID 21817259

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylpyrazolidin-3-one?
The IUPAC name of 1-methyl-2-propan-2-ylpyrazolidin-3-one (CID 69003084) is 1-methyl-2-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for 1-methyl-2-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for 1-methyl-2-propan-2-ylpyrazolidin-3-one is CC(C)N1C(=O)CCN1C.
What is the InChIKey of 1-methyl-2-propan-2-ylpyrazolidin-3-one?
The InChIKey is QPXGVLIMKXCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(2)9-7(10)4-5-8(9)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylpyrazolidin-3-one?
1-methyl-2-propan-2-ylpyrazolidin-3-one has a molecular weight of 142.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 69003084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).