5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

C15H9F3N2O2S — CID 13426021

IUPAC5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-4-10(7-9)20-12(13-5-2-6-23-13)8-11(19-20)14(21)22/h1-8H,(H,21,22)
InChIKeyRYPJRSNXDOKZEB-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.32
Rot. Bonds3

About 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 13426021) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
PubChem CID13426021
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC Name5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-4-10(7-9)20-12(13-5-2-6-23-13)8-11(19-20)14(21)22/h1-8H,(H,21,22)
InChIKeyRYPJRSNXDOKZEB-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (CID 13426021) is 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is RYPJRSNXDOKZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-4-10(7-9)20-12(13-5-2-6-23-13)8-11(19-20)14(21)22/h1-8H,(H,21,22).
What are the key properties of 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid?
5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 338.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 13426021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).