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

C11H14N2O2 — CID 70539201

IUPAC4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one
SMILESCc1ccc(C(O)C2CNNC2=O)cc1
InChIInChI=1S/C11H14N2O2/c1-7-2-4-8(5-3-7)10(14)9-6-12-13-11(9)15/h2-5,9-10,12,14H,6H2,1H3,(H,13,15)
InChIKeyIIZLIIYXEGXTTC-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.28
Rot. Bonds2

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

4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one (PubChem CID 70539201) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one.

Molecular Properties

Compound Name4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one
PubChem CID70539201
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one
SMILESCc1ccc(C(O)C2CNNC2=O)cc1
InChIInChI=1S/C11H14N2O2/c1-7-2-4-8(5-3-7)10(14)9-6-12-13-11(9)15/h2-5,9-10,12,14H,6H2,1H3,(H,13,15)
InChIKeyIIZLIIYXEGXTTC-UHFFFAOYSA-N
XLogP0.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one?
The IUPAC name of 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one (CID 70539201) is 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one.
What is the SMILES notation for 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one?
The canonical SMILES for 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one is Cc1ccc(C(O)C2CNNC2=O)cc1.
What is the InChIKey of 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one?
The InChIKey is IIZLIIYXEGXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-2-4-8(5-3-7)10(14)9-6-12-13-11(9)15/h2-5,9-10,12,14H,6H2,1H3,(H,13,15).
What are the key properties of 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one?
4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(4-methylphenyl)methyl]pyrazolidin-3-one is sourced from PubChem (CID 70539201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).