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

C24H18F3N5O2 — CID 27372686

IUPAC2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1
InChIInChI=1S/C24H18F3N5O2/c1-2-15-6-8-16(9-7-15)19-13-20-23(33)31(10-11-32(20)29-19)14-21-28-22(30-34-21)17-4-3-5-18(12-17)24(25,26)27/h3-13H,2,14H2,1H3
InChIKeyTVZHWPBZTIZANX-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.84
Rot. Bonds5

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

2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372686) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372686
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1
InChIInChI=1S/C24H18F3N5O2/c1-2-15-6-8-16(9-7-15)19-13-20-23(33)31(10-11-32(20)29-19)14-21-28-22(30-34-21)17-4-3-5-18(12-17)24(25,26)27/h3-13H,2,14H2,1H3
InChIKeyTVZHWPBZTIZANX-UHFFFAOYSA-N
XLogP4.84
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-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-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372686) is 2-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)ccn3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is TVZHWPBZTIZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-2-15-6-8-16(9-7-15)19-13-20-23(33)31(10-11-32(20)29-19)14-21-28-22(30-34-21)17-4-3-5-18(12-17)24(25,26)27/h3-13H,2,14H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 465.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).