2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C14H8F3N3O3S — CID 1496731

IUPAC2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccc(O)cc3)cc2C(F)(F)F)n1
InChIInChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-9(7-1-3-8(21)4-2-7)19-20(11)13-18-10(6-24-13)12(22)23/h1-6,21H,(H,22,23)
InChIKeyBYVFIFDWRVGTAE-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.42
Rot. Bonds3

About 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 1496731) has the molecular formula C14H8F3N3O3S and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID1496731
Molecular FormulaC14H8F3N3O3S
Molecular Weight355.30 g/mol
Exact Mass355.02
IUPAC Name2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccc(O)cc3)cc2C(F)(F)F)n1
InChIInChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-9(7-1-3-8(21)4-2-7)19-20(11)13-18-10(6-24-13)12(22)23/h1-6,21H,(H,22,23)
InChIKeyBYVFIFDWRVGTAE-UHFFFAOYSA-N
XLogP3.42
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 1496731) is 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccc(O)cc3)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BYVFIFDWRVGTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3S/c15-14(16,17)11-5-9(7-1-3-8(21)4-2-7)19-20(11)13-18-10(6-24-13)12(22)23/h1-6,21H,(H,22,23).
What are the key properties of 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 355.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 1496731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).