2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

C17H11F3N2O3 — CID 142686021

IUPAC2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1cc(-n2nc(C(F)(F)F)cc2-c2ccccc2)ccc1O
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)15-9-13(10-4-2-1-3-5-10)22(21-15)11-6-7-14(23)12(8-11)16(24)25/h1-9,23H,(H,24,25)
InChIKeyXAKCPIJMMIKHMW-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.96
Rot. Bonds3

About 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid (PubChem CID 142686021) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
PubChem CID142686021
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1cc(-n2nc(C(F)(F)F)cc2-c2ccccc2)ccc1O
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)15-9-13(10-4-2-1-3-5-10)22(21-15)11-6-7-14(23)12(8-11)16(24)25/h1-9,23H,(H,24,25)
InChIKeyXAKCPIJMMIKHMW-UHFFFAOYSA-N
XLogP3.96
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid (CID 142686021) is 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid is O=C(O)c1cc(-n2nc(C(F)(F)F)cc2-c2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid?
The InChIKey is XAKCPIJMMIKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)15-9-13(10-4-2-1-3-5-10)22(21-15)11-6-7-14(23)12(8-11)16(24)25/h1-9,23H,(H,24,25).
What are the key properties of 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid?
2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid has a molecular weight of 348.28 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 142686021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).