1-[(4-methylphenyl)methyl]pyrazolidin-3-one

C11H14N2O — CID 1473557

IUPAC1-[(4-methylphenyl)methyl]pyrazolidin-3-one
SMILESCc1ccc(CN2CCC(=O)N2)cc1
InChIInChI=1S/C11H14N2O/c1-9-2-4-10(5-3-9)8-13-7-6-11(14)12-13/h2-5H,6-8H2,1H3,(H,12,14)
InChIKeyQXEKKJFUXVXPCM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.23
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]pyrazolidin-3-one

1-[(4-methylphenyl)methyl]pyrazolidin-3-one (PubChem CID 1473557) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]pyrazolidin-3-one
PubChem CID1473557
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(4-methylphenyl)methyl]pyrazolidin-3-one
SMILESCc1ccc(CN2CCC(=O)N2)cc1
InChIInChI=1S/C11H14N2O/c1-9-2-4-10(5-3-9)8-13-7-6-11(14)12-13/h2-5H,6-8H2,1H3,(H,12,14)
InChIKeyQXEKKJFUXVXPCM-UHFFFAOYSA-N
XLogP1.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]pyrazolidin-3-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]pyrazolidin-3-one (CID 1473557) is 1-[(4-methylphenyl)methyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]pyrazolidin-3-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]pyrazolidin-3-one is Cc1ccc(CN2CCC(=O)N2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]pyrazolidin-3-one?
The InChIKey is QXEKKJFUXVXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-2-4-10(5-3-9)8-13-7-6-11(14)12-13/h2-5H,6-8H2,1H3,(H,12,14).
What are the key properties of 1-[(4-methylphenyl)methyl]pyrazolidin-3-one?
1-[(4-methylphenyl)methyl]pyrazolidin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]pyrazolidin-3-one is sourced from PubChem (CID 1473557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).