5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one

C11H9F3N2O2 — CID 54101202

IUPAC5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2O)[nH]n1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)6-16-10(18)5-8(15-16)7-3-1-2-4-9(7)17/h1-5,15,17H,6H2
InChIKeyNAPYXXULHOZQSR-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.11
Rot. Bonds2

About 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one

5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one (PubChem CID 54101202) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
PubChem CID54101202
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2O)[nH]n1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)6-16-10(18)5-8(15-16)7-3-1-2-4-9(7)17/h1-5,15,17H,6H2
InChIKeyNAPYXXULHOZQSR-UHFFFAOYSA-N
XLogP2.11
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one (CID 54101202) is 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one is O=c1cc(-c2ccccc2O)[nH]n1CC(F)(F)F.
What is the InChIKey of 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one?
The InChIKey is NAPYXXULHOZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)6-16-10(18)5-8(15-16)7-3-1-2-4-9(7)17/h1-5,15,17H,6H2.
What are the key properties of 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one?
5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one has a molecular weight of 258.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 54101202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).