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

C26H24N4O3 — CID 27371196

IUPAC2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)oc4C)ccn3n2)cc1
InChIInChI=1S/C26H24N4O3/c1-4-18-5-7-19(8-6-18)22-15-24-26(31)29(13-14-30(24)28-22)16-23-17(2)33-25(27-23)20-9-11-21(32-3)12-10-20/h5-15H,4,16H2,1-3H3
InChIKeyPYDBEIPFMUAPBX-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.75
Rot. Bonds6

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

2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27371196) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27371196
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)oc4C)ccn3n2)cc1
InChIInChI=1S/C26H24N4O3/c1-4-18-5-7-19(8-6-18)22-15-24-26(31)29(13-14-30(24)28-22)16-23-17(2)33-25(27-23)20-9-11-21(32-3)12-10-20/h5-15H,4,16H2,1-3H3
InChIKeyPYDBEIPFMUAPBX-UHFFFAOYSA-N
XLogP4.75
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.75
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-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27371196) is 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)oc4C)ccn3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PYDBEIPFMUAPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-4-18-5-7-19(8-6-18)22-15-24-26(31)29(13-14-30(24)28-22)16-23-17(2)33-25(27-23)20-9-11-21(32-3)12-10-20/h5-15H,4,16H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 440.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27371196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).