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

C24H18F3N5O3 — CID 27372882

IUPAC2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1
InChIInChI=1S/C24H18F3N5O3/c1-2-34-18-8-6-15(7-9-18)19-13-20-23(33)31(10-11-32(20)29-19)14-21-28-22(30-35-21)16-4-3-5-17(12-16)24(25,26)27/h3-13H,2,14H2,1H3
InChIKeyCRVQAVFXIASAHN-UHFFFAOYSA-N
MW481.43 g/mol
LogP4.68
Rot. Bonds6

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

2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372882) has the molecular formula C24H18F3N5O3 and a molecular weight of 481.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372882
Molecular FormulaC24H18F3N5O3
Molecular Weight481.43 g/mol
Exact Mass481.14
IUPAC Name2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1
InChIInChI=1S/C24H18F3N5O3/c1-2-34-18-8-6-15(7-9-18)19-13-20-23(33)31(10-11-32(20)29-19)14-21-28-22(30-35-21)16-4-3-5-17(12-16)24(25,26)27/h3-13H,2,14H2,1H3
InChIKeyCRVQAVFXIASAHN-UHFFFAOYSA-N
XLogP4.68
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372882) is 2-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CRVQAVFXIASAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O3/c1-2-34-18-8-6-15(7-9-18)19-13-20-23(33)31(10-11-32(20)29-19)14-21-28-22(30-35-21)16-4-3-5-17(12-16)24(25,26)27/h3-13H,2,14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 481.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).