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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Related Compounds

6-Methyl-1H-imidazo[1,2-b]pyrazole
CID 543171
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
1-[2-(Dimethylsulfamoylamino)ethyl]-6-methylimidazo[1,2-b]pyrazole
CID 91629249
N-methyl-2-(3-methyl-1H-pyrazol-1-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 91839558
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138018656
6-(3,5-Dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide
CID 22090567
4-Propan-2-yl-11-(trifluoromethyl)-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
CID 59225989
4-Propan-2-yl-9-(trifluoromethyl)-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
CID 59225997
5-Tert-butyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 89728288
5-Methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 89729913

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).