1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone

C8H8N4O2 — CID 170145408

IUPAC1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone
SMILESCC(=O)c1nnc(-c2cnn(C)c2)o1
InChIInChI=1S/C8H8N4O2/c1-5(13)7-10-11-8(14-7)6-3-9-12(2)4-6/h3-4H,1-2H3
InChIKeyLJZLOIKJEFJSCA-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.67
Rot. Bonds2

About 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone

1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone (PubChem CID 170145408) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone
PubChem CID170145408
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone
SMILESCC(=O)c1nnc(-c2cnn(C)c2)o1
InChIInChI=1S/C8H8N4O2/c1-5(13)7-10-11-8(14-7)6-3-9-12(2)4-6/h3-4H,1-2H3
InChIKeyLJZLOIKJEFJSCA-UHFFFAOYSA-N
XLogP0.67
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone (CID 170145408) is 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone is CC(=O)c1nnc(-c2cnn(C)c2)o1.
What is the InChIKey of 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone?
The InChIKey is LJZLOIKJEFJSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(13)7-10-11-8(14-7)6-3-9-12(2)4-6/h3-4H,1-2H3.
What are the key properties of 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone?
1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone has a molecular weight of 192.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone is sourced from PubChem (CID 170145408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).