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

C21H15N5O2 — CID 27372306

IUPAC2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccccc3)nn2ccn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H15N5O2/c27-21-18-13-17(15-7-3-1-4-8-15)23-26(18)12-11-25(21)14-19-22-20(24-28-19)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeySQIBCCJFZPKUHF-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.26
Rot. Bonds4

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

2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372306) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372306
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccccc3)nn2ccn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H15N5O2/c27-21-18-13-17(15-7-3-1-4-8-15)23-26(18)12-11-25(21)14-19-22-20(24-28-19)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeySQIBCCJFZPKUHF-UHFFFAOYSA-N
XLogP3.26
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372306) is 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccccc3)nn2ccn1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SQIBCCJFZPKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-21-18-13-17(15-7-3-1-4-8-15)23-26(18)12-11-25(21)14-19-22-20(24-28-19)16-9-5-2-6-10-16/h1-13H,14H2.
What are the key properties of 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).