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

C8H8F3N5 — CID 121215003

IUPAC2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide
SMILES[H]/N=C(\N)Cn1ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C8H8F3N5/c9-8(10,11)5-3-7-15(4-6(12)13)1-2-16(7)14-5/h1-3H,4H2,(H3,12,13)
InChIKeySPZLTCKLENNUFL-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.09
Rot. Bonds2

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

2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide (PubChem CID 121215003) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide
PubChem CID121215003
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide
SMILES[H]/N=C(\N)Cn1ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C8H8F3N5/c9-8(10,11)5-3-7-15(4-6(12)13)1-2-16(7)14-5/h1-3H,4H2,(H3,12,13)
InChIKeySPZLTCKLENNUFL-UHFFFAOYSA-N
XLogP1.09
TPSA72.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-1H-imidazo[1,2-b]pyrazole
CID 543171
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-[(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
6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)-1H-imidazo[2,1-c][1,2,4]triazole
CID 22090568
4-Propan-2-yl-11-(trifluoromethyl)-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
CID 59225989
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 84721402
1,4,5,6-Tetrahydro-1-[2-(trifluoromethyl)-4-pyrimidinyl]pyrrolo[3,4-c]pyrazole
CID 89723537
5-Methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 89729913
5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole
CID 91371822

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide?
The IUPAC name of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide (CID 121215003) is 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide.
What is the SMILES notation for 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide?
The canonical SMILES for 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide is [H]/N=C(\N)Cn1ccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide?
The InChIKey is SPZLTCKLENNUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c9-8(10,11)5-3-7-15(4-6(12)13)1-2-16(7)14-5/h1-3H,4H2,(H3,12,13).
What are the key properties of 2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide?
2-[6-(trifluoromethyl)imidazo[2,1-e]pyrazol-1-yl]ethanimidamide has a molecular weight of 231.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 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]ethanimidamide is sourced from PubChem (CID 121215003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).