2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole

C6H3F3N4O — CID 175959670

IUPAC2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)n1cc(-c2nnco2)cn1
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)13-2-4(1-11-13)5-12-10-3-14-5/h1-3H
InChIKeyNMQIYKYEXOQKGL-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.41
Rot. Bonds1

About 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole

2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 175959670) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID175959670
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)n1cc(-c2nnco2)cn1
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)13-2-4(1-11-13)5-12-10-3-14-5/h1-3H
InChIKeyNMQIYKYEXOQKGL-UHFFFAOYSA-N
XLogP1.41
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (CID 175959670) is 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is FC(F)(F)n1cc(-c2nnco2)cn1.
What is the InChIKey of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is NMQIYKYEXOQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)13-2-4(1-11-13)5-12-10-3-14-5/h1-3H.
What are the key properties of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 204.11 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 175959670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).