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

C7H6F3N5O — CID 64527704

IUPAC5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(CC(F)(F)F)no2)[nH]n1
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)2-5-12-6(16-15-5)3-1-4(11)14-13-3/h1H,2H2,(H3,11,13,14)
InChIKeyJHNSRXRRTBVUFA-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.15
Rot. Bonds2

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

5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 64527704) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID64527704
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC Name5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(CC(F)(F)F)no2)[nH]n1
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)2-5-12-6(16-15-5)3-1-4(11)14-13-3/h1H,2H2,(H3,11,13,14)
InChIKeyJHNSRXRRTBVUFA-UHFFFAOYSA-N
XLogP1.15
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 64527704) is 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(CC(F)(F)F)no2)[nH]n1.
What is the InChIKey of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is JHNSRXRRTBVUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c8-7(9,10)2-5-12-6(16-15-5)3-1-4(11)14-13-3/h1H,2H2,(H3,11,13,14).
What are the key properties of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 233.15 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 64527704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).