5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one

C13H18N2O — CID 105472926

IUPAC5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one
SMILESCc1ccccc1C1CC(=O)N(C(C)C)N1
InChIInChI=1S/C13H18N2O/c1-9(2)15-13(16)8-12(14-15)11-7-5-4-6-10(11)3/h4-7,9,12,14H,8H2,1-3H3
InChIKeyGPFFVOMXBRGWHO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.18
Rot. Bonds2

About 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one

5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one (PubChem CID 105472926) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one
PubChem CID105472926
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one
SMILESCc1ccccc1C1CC(=O)N(C(C)C)N1
InChIInChI=1S/C13H18N2O/c1-9(2)15-13(16)8-12(14-15)11-7-5-4-6-10(11)3/h4-7,9,12,14H,8H2,1-3H3
InChIKeyGPFFVOMXBRGWHO-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one?
The IUPAC name of 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one (CID 105472926) is 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one is Cc1ccccc1C1CC(=O)N(C(C)C)N1.
What is the InChIKey of 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one?
The InChIKey is GPFFVOMXBRGWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)15-13(16)8-12(14-15)11-7-5-4-6-10(11)3/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one?
5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one has a molecular weight of 218.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 105472926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).