5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one

C17H14FN3OS — CID 146216714

IUPAC5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc(-c2ccc(CN3Cc4sccc4C3=O)c(F)c2)cn1
InChIInChI=1S/C17H14FN3OS/c1-20-8-13(7-19-20)11-2-3-12(15(18)6-11)9-21-10-16-14(17(21)22)4-5-23-16/h2-8H,9-10H2,1H3
InChIKeyJXOWKFUMVUOCNA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds3

About 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one

5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (PubChem CID 146216714) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
PubChem CID146216714
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc(-c2ccc(CN3Cc4sccc4C3=O)c(F)c2)cn1
InChIInChI=1S/C17H14FN3OS/c1-20-8-13(7-19-20)11-2-3-12(15(18)6-11)9-21-10-16-14(17(21)22)4-5-23-16/h2-8H,9-10H2,1H3
InChIKeyJXOWKFUMVUOCNA-UHFFFAOYSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (CID 146216714) is 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is Cn1cc(-c2ccc(CN3Cc4sccc4C3=O)c(F)c2)cn1.
What is the InChIKey of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The InChIKey is JXOWKFUMVUOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-20-8-13(7-19-20)11-2-3-12(15(18)6-11)9-21-10-16-14(17(21)22)4-5-23-16/h2-8H,9-10H2,1H3.
What are the key properties of 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one has a molecular weight of 327.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 146216714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).