2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole

C10H11F3N4O — CID 169165290

IUPAC2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn(CC(F)(F)F)c2)o1
InChIInChI=1S/C10H11F3N4O/c1-6(2)8-15-16-9(18-8)7-3-14-17(4-7)5-10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyKLXVDJVEHJCULN-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.62
Rot. Bonds3

About 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole

2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 169165290) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID169165290
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn(CC(F)(F)F)c2)o1
InChIInChI=1S/C10H11F3N4O/c1-6(2)8-15-16-9(18-8)7-3-14-17(4-7)5-10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyKLXVDJVEHJCULN-UHFFFAOYSA-N
XLogP2.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole (CID 169165290) is 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole is CC(C)c1nnc(-c2cnn(CC(F)(F)F)c2)o1.
What is the InChIKey of 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is KLXVDJVEHJCULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-6(2)8-15-16-9(18-8)7-3-14-17(4-7)5-10(11,12)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 260.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169165290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).