2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one

C11H14N2O2 — CID 105458849

IUPAC2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one
SMILESCCN1NC(c2ccccc2O)CC1=O
InChIInChI=1S/C11H14N2O2/c1-2-13-11(15)7-9(12-13)8-5-3-4-6-10(8)14/h3-6,9,12,14H,2,7H2,1H3
InChIKeyDHVJWXDNDXKHAE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.19
Rot. Bonds2

About 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one

2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one (PubChem CID 105458849) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one
PubChem CID105458849
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one
SMILESCCN1NC(c2ccccc2O)CC1=O
InChIInChI=1S/C11H14N2O2/c1-2-13-11(15)7-9(12-13)8-5-3-4-6-10(8)14/h3-6,9,12,14H,2,7H2,1H3
InChIKeyDHVJWXDNDXKHAE-UHFFFAOYSA-N
XLogP1.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one?
The IUPAC name of 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one (CID 105458849) is 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one is CCN1NC(c2ccccc2O)CC1=O.
What is the InChIKey of 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one?
The InChIKey is DHVJWXDNDXKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-13-11(15)7-9(12-13)8-5-3-4-6-10(8)14/h3-6,9,12,14H,2,7H2,1H3.
What are the key properties of 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one?
2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 105458849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).