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

C18H14FN3O2S — CID 91917143

IUPAC5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2S/c19-13-5-3-12(4-6-13)16(23)11-21-7-8-22-15(18(21)24)10-14(20-22)17-2-1-9-25-17/h1-10,16,23H,11H2
InChIKeyKIATZUTUGOIZSG-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.10
Rot. Bonds4

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

5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91917143) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID91917143
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2S/c19-13-5-3-12(4-6-13)16(23)11-21-7-8-22-15(18(21)24)10-14(20-22)17-2-1-9-25-17/h1-10,16,23H,11H2
InChIKeyKIATZUTUGOIZSG-UHFFFAOYSA-N
XLogP3.10
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 91917143) is 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1CC(O)c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KIATZUTUGOIZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-13-5-3-12(4-6-13)16(23)11-21-7-8-22-15(18(21)24)10-14(20-22)17-2-1-9-25-17/h1-10,16,23H,11H2.
What are the key properties of 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91917143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).