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

C23H16F3N5O2 — CID 45498786

IUPAC2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)ccn2n1
InChIInChI=1S/C23H16F3N5O2/c1-14-5-2-3-8-17(14)18-12-19-22(32)30(9-10-31(19)28-18)13-20-27-21(29-33-20)15-6-4-7-16(11-15)23(24,25)26/h2-12H,13H2,1H3
InChIKeyKTGRRVMNGIOHSI-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.59
Rot. Bonds4

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

2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 45498786) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID45498786
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC Name2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)ccn2n1
InChIInChI=1S/C23H16F3N5O2/c1-14-5-2-3-8-17(14)18-12-19-22(32)30(9-10-31(19)28-18)13-20-27-21(29-33-20)15-6-4-7-16(11-15)23(24,25)26/h2-12H,13H2,1H3
InChIKeyKTGRRVMNGIOHSI-UHFFFAOYSA-N
XLogP4.59
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 45498786) is 2-(2-methylphenyl)-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-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)ccn2n1.
What is the InChIKey of 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KTGRRVMNGIOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c1-14-5-2-3-8-17(14)18-12-19-22(32)30(9-10-31(19)28-18)13-20-27-21(29-33-20)15-6-4-7-16(11-15)23(24,25)26/h2-12H,13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 451.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 45498786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).