2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one

C11H10N2O3 — CID 5195985

IUPAC2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)c2ccccc2O)C(=O)C1
InChIInChI=1S/C11H10N2O3/c1-7-6-10(15)13(12-7)11(16)8-4-2-3-5-9(8)14/h2-5,14H,6H2,1H3
InChIKeyWVQMNFHYJBWNDO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.14
Rot. Bonds1

About 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one

2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 5195985) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one
PubChem CID5195985
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)c2ccccc2O)C(=O)C1
InChIInChI=1S/C11H10N2O3/c1-7-6-10(15)13(12-7)11(16)8-4-2-3-5-9(8)14/h2-5,14H,6H2,1H3
InChIKeyWVQMNFHYJBWNDO-UHFFFAOYSA-N
XLogP1.14
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one (CID 5195985) is 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(C(=O)c2ccccc2O)C(=O)C1.
What is the InChIKey of 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is WVQMNFHYJBWNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-6-10(15)13(12-7)11(16)8-4-2-3-5-9(8)14/h2-5,14H,6H2,1H3.
What are the key properties of 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one?
2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 218.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzoyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 5195985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).