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

C26H24N4O2 — CID 27371170

IUPAC2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1C
InChIInChI=1S/C26H24N4O2/c1-16-9-10-20(13-18(16)3)22-14-24-26(31)29(11-12-30(24)28-22)15-23-19(4)32-25(27-23)21-8-6-5-7-17(21)2/h5-14H,15H2,1-4H3
InChIKeyRZNXSMFNBZRFTG-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.10
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27371170) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27371170
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1C
InChIInChI=1S/C26H24N4O2/c1-16-9-10-20(13-18(16)3)22-14-24-26(31)29(11-12-30(24)28-22)15-23-19(4)32-25(27-23)21-8-6-5-7-17(21)2/h5-14H,15H2,1-4H3
InChIKeyRZNXSMFNBZRFTG-UHFFFAOYSA-N
XLogP5.10
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
2-(4-chlorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092968
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53092975
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53210695
5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043167
2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371178
2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093005
5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53332168
2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 95104750
5-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53076232
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide
CID 91892847
5-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 45498884

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27371170) is 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RZNXSMFNBZRFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-9-10-20(13-18(16)3)22-14-24-26(31)29(11-12-30(24)28-22)15-23-19(4)32-25(27-23)21-8-6-5-7-17(21)2/h5-14H,15H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 424.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27371170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).