4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide

C18H12FN3OS — CID 31907493

IUPAC4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H12FN3OS/c19-15-3-1-4-16-14(15)11-17(24-16)18(23)21-12-5-7-13(8-6-12)22-10-2-9-20-22/h1-11H,(H,21,23)
InChIKeyREDPJCLHJMTDIE-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.48
Rot. Bonds3

About 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 31907493) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID31907493
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H12FN3OS/c19-15-3-1-4-16-14(15)11-17(24-16)18(23)21-12-5-7-13(8-6-12)22-10-2-9-20-22/h1-11H,(H,21,23)
InChIKeyREDPJCLHJMTDIE-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide (CID 31907493) is 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is REDPJCLHJMTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-15-3-1-4-16-14(15)11-17(24-16)18(23)21-12-5-7-13(8-6-12)22-10-2-9-20-22/h1-11H,(H,21,23).
What are the key properties of 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31907493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).