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

C7H8N4O — CID 139378787

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2ncon2)cnn1C
InChIInChI=1S/C7H8N4O/c1-5-6(3-9-11(5)2)7-8-4-12-10-7/h3-4H,1-2H3
InChIKeyXGPIEYZQYSGMKD-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.78
Rot. Bonds1

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

3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 139378787) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID139378787
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2ncon2)cnn1C
InChIInChI=1S/C7H8N4O/c1-5-6(3-9-11(5)2)7-8-4-12-10-7/h3-4H,1-2H3
InChIKeyXGPIEYZQYSGMKD-UHFFFAOYSA-N
XLogP0.78
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole (CID 139378787) is 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1c(-c2ncon2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is XGPIEYZQYSGMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-6(3-9-11(5)2)7-8-4-12-10-7/h3-4H,1-2H3.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 164.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139378787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).