2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol

C8H8F3N3O — CID 121214996

IUPAC2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol
SMILESOCCn1ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-5-7-13(3-4-15)1-2-14(7)12-6/h1-2,5,15H,3-4H2
InChIKeyOYQCPZWTUMSWEI-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.15
Rot. Bonds2

About 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol

2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol (PubChem CID 121214996) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol
PubChem CID121214996
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol
SMILESOCCn1ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-5-7-13(3-4-15)1-2-14(7)12-6/h1-2,5,15H,3-4H2
InChIKeyOYQCPZWTUMSWEI-UHFFFAOYSA-N
XLogP1.15
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol (CID 121214996) is 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol is OCCn1ccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol?
The InChIKey is OYQCPZWTUMSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)6-5-7-13(3-4-15)1-2-14(7)12-6/h1-2,5,15H,3-4H2.
What are the key properties of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol?
2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol has a molecular weight of 219.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanol is sourced from PubChem (CID 121214996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).