5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C17H12FN3OS — CID 53043180

IUPAC5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1ccccc1F
InChIInChI=1S/C17H12FN3OS/c18-13-5-2-1-4-12(13)11-20-7-8-21-15(17(20)22)10-14(19-21)16-6-3-9-23-16/h1-10H,11H2
InChIKeyMCDYVFMCHQDSLO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.41
Rot. Bonds3

About 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043180) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043180
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1ccccc1F
InChIInChI=1S/C17H12FN3OS/c18-13-5-2-1-4-12(13)11-20-7-8-21-15(17(20)22)10-14(19-21)16-6-3-9-23-16/h1-10H,11H2
InChIKeyMCDYVFMCHQDSLO-UHFFFAOYSA-N
XLogP3.41
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
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CID 155977230
5-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
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1-[(2-fluorophenyl)methyl]-3-hydroxypyridin-2-one
CID 53235463
2-phenyl-5-propylpyrazolo[1,5-a]pyrazin-4-one
CID 91886931
5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53043180) is 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MCDYVFMCHQDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-13-5-2-1-4-12(13)11-20-7-8-21-15(17(20)22)10-14(19-21)16-6-3-9-23-16/h1-10H,11H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 325.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).