5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid

C15H10FN3O3S — CID 139010552

IUPAC5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1
InChIInChI=1S/C15H10FN3O3S/c16-11-6-9(2-3-12(11)19-5-1-4-17-19)14(20)18-13-7-10(8-23-13)15(21)22/h1-8H,(H,18,20)(H,21,22)
InChIKeyLGLLTTKGTPTBAL-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.02
Rot. Bonds4

About 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid

5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 139010552) has the molecular formula C15H10FN3O3S and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID139010552
Molecular FormulaC15H10FN3O3S
Molecular Weight331.33 g/mol
Exact Mass331.04
IUPAC Name5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1
InChIInChI=1S/C15H10FN3O3S/c16-11-6-9(2-3-12(11)19-5-1-4-17-19)14(20)18-13-7-10(8-23-13)15(21)22/h1-8H,(H,18,20)(H,21,22)
InChIKeyLGLLTTKGTPTBAL-UHFFFAOYSA-N
XLogP3.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid (CID 139010552) is 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid is O=C(O)c1csc(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1.
What is the InChIKey of 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is LGLLTTKGTPTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3S/c16-11-6-9(2-3-12(11)19-5-1-4-17-19)14(20)18-13-7-10(8-23-13)15(21)22/h1-8H,(H,18,20)(H,21,22).
What are the key properties of 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid?
5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 139010552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).