5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid

C17H10F4N2O3 — CID 142686015

IUPAC5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C17H10F4N2O3/c18-10-3-1-9(2-4-10)13-8-15(17(19,20)21)22-23(13)11-5-6-14(24)12(7-11)16(25)26/h1-8,24H,(H,25,26)
InChIKeyGBSXKTKBESGFPO-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.10
Rot. Bonds3

About 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid

5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid (PubChem CID 142686015) has the molecular formula C17H10F4N2O3 and a molecular weight of 366.27 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid
PubChem CID142686015
Molecular FormulaC17H10F4N2O3
Molecular Weight366.27 g/mol
Exact Mass366.06
IUPAC Name5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C17H10F4N2O3/c18-10-3-1-9(2-4-10)13-8-15(17(19,20)21)22-23(13)11-5-6-14(24)12(7-11)16(25)26/h1-8,24H,(H,25,26)
InChIKeyGBSXKTKBESGFPO-UHFFFAOYSA-N
XLogP4.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid (CID 142686015) is 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)ccc1O.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid?
The InChIKey is GBSXKTKBESGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O3/c18-10-3-1-9(2-4-10)13-8-15(17(19,20)21)22-23(13)11-5-6-14(24)12(7-11)16(25)26/h1-8,24H,(H,25,26).
What are the key properties of 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid?
5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid has a molecular weight of 366.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 142686015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).