4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one

C12H16N2O2 — CID 14840385

IUPAC4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
SMILESCOCC1(C)CN(c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2O2/c1-12(9-16-2)8-14(13-11(12)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
InChIKeyCKTKXUFKTUEYPT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.19
Rot. Bonds3

About 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one

4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one (PubChem CID 14840385) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
PubChem CID14840385
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
SMILESCOCC1(C)CN(c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2O2/c1-12(9-16-2)8-14(13-11(12)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
InChIKeyCKTKXUFKTUEYPT-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one (CID 14840385) is 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one is COCC1(C)CN(c2ccccc2)NC1=O.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
The InChIKey is CKTKXUFKTUEYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(9-16-2)8-14(13-11(12)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15).
What are the key properties of 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 14840385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).