5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C13H20N6O — CID 63343323

IUPAC5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCc1c(-c2nc(C(C)N3CCNCC3)no2)cnn1C
InChIInChI=1S/C13H20N6O/c1-9-11(8-15-18(9)3)13-16-12(17-20-13)10(2)19-6-4-14-5-7-19/h8,10,14H,4-7H2,1-3H3
InChIKeySEEGXPMBNIZQLI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.74
Rot. Bonds3

About 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 63343323) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID63343323
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCc1c(-c2nc(C(C)N3CCNCC3)no2)cnn1C
InChIInChI=1S/C13H20N6O/c1-9-11(8-15-18(9)3)13-16-12(17-20-13)10(2)19-6-4-14-5-7-19/h8,10,14H,4-7H2,1-3H3
InChIKeySEEGXPMBNIZQLI-UHFFFAOYSA-N
XLogP0.74
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 55202377
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096462
3-(1-chlorobutyl)-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103096002
5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63796485
5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 81124292
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635656
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
5-[(2-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343354

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 63343323) is 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is Cc1c(-c2nc(C(C)N3CCNCC3)no2)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is SEEGXPMBNIZQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-11(8-15-18(9)3)13-16-12(17-20-13)10(2)19-6-4-14-5-7-19/h8,10,14H,4-7H2,1-3H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63343323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).