1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid

C15H8F4N4O2 — CID 140763130

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cnccn2)n(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H8F4N4O2/c16-10-2-1-8(5-9(10)15(17,18)19)23-13(6-11(22-23)14(24)25)12-7-20-3-4-21-12/h1-7H,(H,24,25)
InChIKeyFSQGEGTXKVRTEN-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.19
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid

1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid (PubChem CID 140763130) has the molecular formula C15H8F4N4O2 and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid
PubChem CID140763130
Molecular FormulaC15H8F4N4O2
Molecular Weight352.25 g/mol
Exact Mass352.06
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cnccn2)n(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H8F4N4O2/c16-10-2-1-8(5-9(10)15(17,18)19)23-13(6-11(22-23)14(24)25)12-7-20-3-4-21-12/h1-7H,(H,24,25)
InChIKeyFSQGEGTXKVRTEN-UHFFFAOYSA-N
XLogP3.19
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid (CID 140763130) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2cnccn2)n(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is FSQGEGTXKVRTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N4O2/c16-10-2-1-8(5-9(10)15(17,18)19)23-13(6-11(22-23)14(24)25)12-7-20-3-4-21-12/h1-7H,(H,24,25).
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 352.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 140763130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).