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

C26H25N5O3 — CID 27372657

IUPAC2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1
InChIInChI=1S/C26H25N5O3/c1-3-4-15-33-20-11-9-19(10-12-20)22-16-23-26(32)30(13-14-31(23)28-22)17-24-27-25(29-34-24)21-8-6-5-7-18(21)2/h5-14,16H,3-4,15,17H2,1-2H3
InChIKeyGNQWNFRWUPWFME-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.75
Rot. Bonds8

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

2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372657) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372657
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1
InChIInChI=1S/C26H25N5O3/c1-3-4-15-33-20-11-9-19(10-12-20)22-16-23-26(32)30(13-14-31(23)28-22)17-24-27-25(29-34-24)21-8-6-5-7-18(21)2/h5-14,16H,3-4,15,17H2,1-2H3
InChIKeyGNQWNFRWUPWFME-UHFFFAOYSA-N
XLogP4.75
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372657) is 2-(4-butoxyphenyl)-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-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)no4)ccn3n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GNQWNFRWUPWFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-3-4-15-33-20-11-9-19(10-12-20)22-16-23-26(32)30(13-14-31(23)28-22)17-24-27-25(29-34-24)21-8-6-5-7-18(21)2/h5-14,16H,3-4,15,17H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 455.52 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).