5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C19H19N7O — CID 70777947

IUPAC5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)cc1
InChIInChI=1S/C19H19N7O/c1-2-4-14(5-3-1)10-18-22-17(24-27-18)13-25-8-7-21-19(25)16-11-15-12-20-6-9-26(15)23-16/h1-5,7-8,11,20H,6,9-10,12-13H2
InChIKeyQEIZYHWEFNFJQR-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.87
Rot. Bonds5

About 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 70777947) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID70777947
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)cc1
InChIInChI=1S/C19H19N7O/c1-2-4-14(5-3-1)10-18-22-17(24-27-18)13-25-8-7-21-19(25)16-11-15-12-20-6-9-26(15)23-16/h1-5,7-8,11,20H,6,9-10,12-13H2
InChIKeyQEIZYHWEFNFJQR-UHFFFAOYSA-N
XLogP1.87
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 70777947) is 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is c1ccc(Cc2nc(Cn3ccnc3-c3cc4n(n3)CCNC4)no2)cc1.
What is the InChIKey of 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QEIZYHWEFNFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-2-4-14(5-3-1)10-18-22-17(24-27-18)13-25-8-7-21-19(25)16-11-15-12-20-6-9-26(15)23-16/h1-5,7-8,11,20H,6,9-10,12-13H2.
What are the key properties of 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 361.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70777947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).