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

C10H10N2O2 — CID 10307917

IUPAC2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2O)C(=O)C1
InChIInChI=1S/C10H10N2O2/c1-7-6-10(14)12(11-7)8-4-2-3-5-9(8)13/h2-5,13H,6H2,1H3
InChIKeyRTNRIGKGQLASIJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.50
Rot. Bonds1

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

2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 10307917) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID10307917
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2O)C(=O)C1
InChIInChI=1S/C10H10N2O2/c1-7-6-10(14)12(11-7)8-4-2-3-5-9(8)13/h2-5,13H,6H2,1H3
InChIKeyRTNRIGKGQLASIJ-UHFFFAOYSA-N
XLogP1.50
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one (CID 10307917) is 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2ccccc2O)C(=O)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is RTNRIGKGQLASIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-6-10(14)12(11-7)8-4-2-3-5-9(8)13/h2-5,13H,6H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one?
2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 190.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 10307917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).