2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one

C12H24N2O — CID 176833716

IUPAC2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one
SMILESCC(C)C1CC(C(=O)C(C)(C)C)NN1C
InChIInChI=1S/C12H24N2O/c1-8(2)10-7-9(13-14(10)6)11(15)12(3,4)5/h8-10,13H,7H2,1-6H3
InChIKeyDNHZOAOPADDLQY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.83
Rot. Bonds2

About 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one

2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one (PubChem CID 176833716) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one
PubChem CID176833716
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one
SMILESCC(C)C1CC(C(=O)C(C)(C)C)NN1C
InChIInChI=1S/C12H24N2O/c1-8(2)10-7-9(13-14(10)6)11(15)12(3,4)5/h8-10,13H,7H2,1-6H3
InChIKeyDNHZOAOPADDLQY-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one (CID 176833716) is 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one is CC(C)C1CC(C(=O)C(C)(C)C)NN1C.
What is the InChIKey of 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one?
The InChIKey is DNHZOAOPADDLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(2)10-7-9(13-14(10)6)11(15)12(3,4)5/h8-10,13H,7H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one?
2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methyl-5-propan-2-ylpyrazolidin-3-yl)propan-1-one is sourced from PubChem (CID 176833716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).