1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C8H8F3N5O — CID 54595553

IUPAC1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(CC(F)(F)F)no2)c1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)1-6-14-7(17-15-6)4-16-3-5(12)2-13-16/h2-3H,1,4,12H2
InChIKeyUQPKIXUICXHJFZ-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.00
Rot. Bonds3

About 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 54595553) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID54595553
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(CC(F)(F)F)no2)c1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)1-6-14-7(17-15-6)4-16-3-5(12)2-13-16/h2-3H,1,4,12H2
InChIKeyUQPKIXUICXHJFZ-UHFFFAOYSA-N
XLogP1.00
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 54595553) is 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(CC(F)(F)F)no2)c1.
What is the InChIKey of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is UQPKIXUICXHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c9-8(10,11)1-6-14-7(17-15-6)4-16-3-5(12)2-13-16/h2-3H,1,4,12H2.
What are the key properties of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 247.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 54595553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).