1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid

C14H9FN2O2S — CID 3844839

IUPAC1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nn1-c1ccccc1F
InChIInChI=1S/C14H9FN2O2S/c15-9-4-1-2-5-11(9)17-12(14(18)19)8-10(16-17)13-6-3-7-20-13/h1-8H,(H,18,19)
InChIKeyIICCRAVFRIOSIU-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid

1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid (PubChem CID 3844839) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
PubChem CID3844839
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nn1-c1ccccc1F
InChIInChI=1S/C14H9FN2O2S/c15-9-4-1-2-5-11(9)17-12(14(18)19)8-10(16-17)13-6-3-7-20-13/h1-8H,(H,18,19)
InChIKeyIICCRAVFRIOSIU-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid (CID 3844839) is 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccs2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The InChIKey is IICCRAVFRIOSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-9-4-1-2-5-11(9)17-12(14(18)19)8-10(16-17)13-6-3-7-20-13/h1-8H,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 3844839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).