2-methyl-1-(4-methylphenyl)pyrazolidin-3-one

C11H14N2O — CID 54165134

IUPAC2-methyl-1-(4-methylphenyl)pyrazolidin-3-one
SMILESCc1ccc(N2CCC(=O)N2C)cc1
InChIInChI=1S/C11H14N2O/c1-9-3-5-10(6-4-9)13-8-7-11(14)12(13)2/h3-6H,7-8H2,1-2H3
InChIKeyORCZZOKAPJODBU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one

2-methyl-1-(4-methylphenyl)pyrazolidin-3-one (PubChem CID 54165134) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)pyrazolidin-3-one
PubChem CID54165134
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-methyl-1-(4-methylphenyl)pyrazolidin-3-one
SMILESCc1ccc(N2CCC(=O)N2C)cc1
InChIInChI=1S/C11H14N2O/c1-9-3-5-10(6-4-9)13-8-7-11(14)12(13)2/h3-6H,7-8H2,1-2H3
InChIKeyORCZZOKAPJODBU-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one (CID 54165134) is 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one is Cc1ccc(N2CCC(=O)N2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one?
The InChIKey is ORCZZOKAPJODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-3-5-10(6-4-9)13-8-7-11(14)12(13)2/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one?
2-methyl-1-(4-methylphenyl)pyrazolidin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 54165134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).