2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C22H13F4N5O2 — CID 27372913

IUPAC2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C22H13F4N5O2/c23-16-6-4-13(5-7-16)17-11-18-21(32)30(8-9-31(18)28-17)12-19-27-20(29-33-19)14-2-1-3-15(10-14)22(24,25)26/h1-11H,12H2
InChIKeyAIRKNFPIEFEJHE-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372913) has the molecular formula C22H13F4N5O2 and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372913
Molecular FormulaC22H13F4N5O2
Molecular Weight455.37 g/mol
Exact Mass455.10
IUPAC Name2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C22H13F4N5O2/c23-16-6-4-13(5-7-16)17-11-18-21(32)30(8-9-31(18)28-17)12-19-27-20(29-33-19)14-2-1-3-15(10-14)22(24,25)26/h1-11H,12H2
InChIKeyAIRKNFPIEFEJHE-UHFFFAOYSA-N
XLogP4.42
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372913) is 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is AIRKNFPIEFEJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N5O2/c23-16-6-4-13(5-7-16)17-11-18-21(32)30(8-9-31(18)28-17)12-19-27-20(29-33-19)14-2-1-3-15(10-14)22(24,25)26/h1-11H,12H2.
What are the key properties of 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 455.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).