5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole

C8H7F3N4O — CID 155681859

IUPAC5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1cnn(CC(F)(F)F)c1-c1ncno1
InChIInChI=1S/C8H7F3N4O/c1-5-2-13-15(3-8(9,10)11)6(5)7-12-4-14-16-7/h2,4H,3H2,1H3
InChIKeyOKGNELFEDRYGRO-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.80
Rot. Bonds2

About 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole

5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 155681859) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID155681859
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1cnn(CC(F)(F)F)c1-c1ncno1
InChIInChI=1S/C8H7F3N4O/c1-5-2-13-15(3-8(9,10)11)6(5)7-12-4-14-16-7/h2,4H,3H2,1H3
InChIKeyOKGNELFEDRYGRO-UHFFFAOYSA-N
XLogP1.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole (CID 155681859) is 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole is Cc1cnn(CC(F)(F)F)c1-c1ncno1.
What is the InChIKey of 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is OKGNELFEDRYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-5-2-13-15(3-8(9,10)11)6(5)7-12-4-14-16-7/h2,4H,3H2,1H3.
What are the key properties of 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 232.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 155681859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).