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

C6H4F3N5O — CID 82008729

IUPAC5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(C(F)(F)F)no2)[nH]n1
InChIInChI=1S/C6H4F3N5O/c7-6(8,9)5-11-4(15-14-5)2-1-3(10)13-12-2/h1H,(H3,10,12,13)
InChIKeyUSHLSKBOFLCHNF-UHFFFAOYSA-N
MW219.13 g/mol
LogP1.06
Rot. Bonds1

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

5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 82008729) has the molecular formula C6H4F3N5O and a molecular weight of 219.13 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID82008729
Molecular FormulaC6H4F3N5O
Molecular Weight219.13 g/mol
Exact Mass219.04
IUPAC Name5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(C(F)(F)F)no2)[nH]n1
InChIInChI=1S/C6H4F3N5O/c7-6(8,9)5-11-4(15-14-5)2-1-3(10)13-12-2/h1H,(H3,10,12,13)
InChIKeyUSHLSKBOFLCHNF-UHFFFAOYSA-N
XLogP1.06
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 82008729) is 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(C(F)(F)F)no2)[nH]n1.
What is the InChIKey of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is USHLSKBOFLCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5O/c7-6(8,9)5-11-4(15-14-5)2-1-3(10)13-12-2/h1H,(H3,10,12,13).
What are the key properties of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 219.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82008729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).