5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole

C17H20N6O — CID 167879483

IUPAC5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(N3CCNCC3)no2)cc1Cc1ccccc1
InChIInChI=1S/C17H20N6O/c1-22-14(11-13-5-3-2-4-6-13)12-15(20-22)16-19-17(21-24-16)23-9-7-18-8-10-23/h2-6,12,18H,7-11H2,1H3
InChIKeyDDSWXQJXRXAHMQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.47
Rot. Bonds4

About 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole

5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 167879483) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID167879483
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(N3CCNCC3)no2)cc1Cc1ccccc1
InChIInChI=1S/C17H20N6O/c1-22-14(11-13-5-3-2-4-6-13)12-15(20-22)16-19-17(21-24-16)23-9-7-18-8-10-23/h2-6,12,18H,7-11H2,1H3
InChIKeyDDSWXQJXRXAHMQ-UHFFFAOYSA-N
XLogP1.47
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole (CID 167879483) is 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole is Cn1nc(-c2nc(N3CCNCC3)no2)cc1Cc1ccccc1.
What is the InChIKey of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is DDSWXQJXRXAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-14(11-13-5-3-2-4-6-13)12-15(20-22)16-19-17(21-24-16)23-9-7-18-8-10-23/h2-6,12,18H,7-11H2,1H3.
What are the key properties of 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 324.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167879483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).