1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole

C8H8F3N3 — CID 121214989

IUPAC1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole
SMILESCCn1ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C8H8F3N3/c1-2-13-3-4-14-7(13)5-6(12-14)8(9,10)11/h3-5H,2H2,1H3
InChIKeyWAXOUMPFULMJEX-UHFFFAOYSA-N
MW203.17 g/mol
LogP2.17
Rot. Bonds1

About 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole

1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole (PubChem CID 121214989) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole
PubChem CID121214989
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole
SMILESCCn1ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C8H8F3N3/c1-2-13-3-4-14-7(13)5-6(12-14)8(9,10)11/h3-5H,2H2,1H3
InChIKeyWAXOUMPFULMJEX-UHFFFAOYSA-N
XLogP2.17
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole?
The IUPAC name of 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole (CID 121214989) is 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole.
What is the SMILES notation for 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole?
The canonical SMILES for 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole is CCn1ccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole?
The InChIKey is WAXOUMPFULMJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-2-13-3-4-14-7(13)5-6(12-14)8(9,10)11/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole?
1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole has a molecular weight of 203.17 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(trifluoromethyl)imidazo[2,1-e]pyrazole is sourced from PubChem (CID 121214989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).