5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide

C18H12FN3OS — CID 55537358

IUPAC5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H12FN3OS/c19-13-6-7-15-12(10-13)11-16(24-15)18(23)20-17-8-9-22(21-17)14-4-2-1-3-5-14/h1-11H,(H,20,21,23)
InChIKeyNPYKSNBRSZPQDJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.48
Rot. Bonds3

About 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide

5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 55537358) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID55537358
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C18H12FN3OS/c19-13-6-7-15-12(10-13)11-16(24-15)18(23)20-17-8-9-22(21-17)14-4-2-1-3-5-14/h1-11H,(H,20,21,23)
InChIKeyNPYKSNBRSZPQDJ-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 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide (CID 55537358) is 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is NPYKSNBRSZPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-13-6-7-15-12(10-13)11-16(24-15)18(23)20-17-8-9-22(21-17)14-4-2-1-3-5-14/h1-11H,(H,20,21,23).
What are the key properties of 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-(1-phenylpyrazol-3-yl)-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 5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55537358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).