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

C24H21N5O2 — CID 27372667

IUPAC2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1
InChIInChI=1S/C24H21N5O2/c1-3-17-8-10-18(11-9-17)20-14-21-24(30)28(12-13-29(21)26-20)15-22-25-23(27-31-22)19-7-5-4-6-16(19)2/h4-14H,3,15H2,1-2H3
InChIKeyVOVOXLGRYAUMFC-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.13
Rot. Bonds5

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

2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372667) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372667
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1
InChIInChI=1S/C24H21N5O2/c1-3-17-8-10-18(11-9-17)20-14-21-24(30)28(12-13-29(21)26-20)15-22-25-23(27-31-22)19-7-5-4-6-16(19)2/h4-14H,3,15H2,1-2H3
InChIKeyVOVOXLGRYAUMFC-UHFFFAOYSA-N
XLogP4.13
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.13
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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372667) is 2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VOVOXLGRYAUMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-3-17-8-10-18(11-9-17)20-14-21-24(30)28(12-13-29(21)26-20)15-22-25-23(27-31-22)19-7-5-4-6-16(19)2/h4-14H,3,15H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-ethylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 411.47 g/mol, XLogP of 4.13, 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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).