5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C8H8F3N5O — CID 79954198

IUPAC5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(CCC(F)(F)F)no2)[nH]n1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)2-1-6-13-7(17-16-6)4-3-5(12)15-14-4/h3H,1-2H2,(H3,12,14,15)
InChIKeyVVVJDIPZTRTBIM-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.54
Rot. Bonds3

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

5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 79954198) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID79954198
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(CCC(F)(F)F)no2)[nH]n1
InChIInChI=1S/C8H8F3N5O/c9-8(10,11)2-1-6-13-7(17-16-6)4-3-5(12)15-14-4/h3H,1-2H2,(H3,12,14,15)
InChIKeyVVVJDIPZTRTBIM-UHFFFAOYSA-N
XLogP1.54
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 79954198) is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(CCC(F)(F)F)no2)[nH]n1.
What is the InChIKey of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is VVVJDIPZTRTBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c9-8(10,11)2-1-6-13-7(17-16-6)4-3-5(12)15-14-4/h3H,1-2H2,(H3,12,14,15).
What are the key properties of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 247.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 79954198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).