3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid

C17H11F3N2O3 — CID 169270982

IUPAC3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-n2cc(-c3cccc(O)c3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)13-4-11(16(24)25)5-14(7-13)22-9-12(8-21-22)10-2-1-3-15(23)6-10/h1-9,23H,(H,24,25)
InChIKeyDLHMHRPJAQFFDW-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.96
Rot. Bonds3

About 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid

3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid (PubChem CID 169270982) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid
PubChem CID169270982
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-n2cc(-c3cccc(O)c3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)13-4-11(16(24)25)5-14(7-13)22-9-12(8-21-22)10-2-1-3-15(23)6-10/h1-9,23H,(H,24,25)
InChIKeyDLHMHRPJAQFFDW-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 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid (CID 169270982) is 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(-n2cc(-c3cccc(O)c3)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid?
The InChIKey is DLHMHRPJAQFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)13-4-11(16(24)25)5-14(7-13)22-9-12(8-21-22)10-2-1-3-15(23)6-10/h1-9,23H,(H,24,25).
What are the key properties of 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid?
3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)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 3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 169270982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).