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

C18H12FN3OS — CID 47028572

IUPAC4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H12FN3OS/c19-13-5-3-8-16-12(13)11-17(24-16)18(23)21-14-6-1-2-7-15(14)22-10-4-9-20-22/h1-11H,(H,21,23)
InChIKeyMUCXKFIFSXZHSR-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.48
Rot. Bonds3

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

4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 47028572) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID47028572
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H12FN3OS/c19-13-5-3-8-16-12(13)11-17(24-16)18(23)21-14-6-1-2-7-15(14)22-10-4-9-20-22/h1-11H,(H,21,23)
InChIKeyMUCXKFIFSXZHSR-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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Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 16308031
3-(2-Fluorophenyl)-1-methyl-N-(pyridin-3-YL)-1H-thieno[2,3-C]pyrazole-5-carboxamide
CID 20857618
5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 46230666
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophenecarboxamide
CID 46916321
N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 66778916
5-(2,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
CID 68062150
N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062158
N-(2-fluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062183
N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062356

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide (CID 47028572) is 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MUCXKFIFSXZHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-13-5-3-8-16-12(13)11-17(24-16)18(23)21-14-6-1-2-7-15(14)22-10-4-9-20-22/h1-11H,(H,21,23).
What are the key properties of 4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(2-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-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47028572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).