1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

C13H7F3N4O2 — CID 141185817

IUPAC1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)n3ccncc23)cc1
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)12-18-11(10-7-17-5-6-19(10)12)8-1-3-9(4-2-8)20(21)22/h1-7H
InChIKeyNHENAYPKOMAWDV-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.32
Rot. Bonds2

About 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (PubChem CID 141185817) has the molecular formula C13H7F3N4O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
PubChem CID141185817
Molecular FormulaC13H7F3N4O2
Molecular Weight308.22 g/mol
Exact Mass308.05
IUPAC Name1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)n3ccncc23)cc1
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)12-18-11(10-7-17-5-6-19(10)12)8-1-3-9(4-2-8)20(21)22/h1-7H
InChIKeyNHENAYPKOMAWDV-UHFFFAOYSA-N
XLogP3.32
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
1-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]cyclopropan-1-amine
CID 84801591
4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
CID 139599922
3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine
CID 164834369
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
1-methyl-2-(4-nitrophenyl)-4-(trifluoromethyl)imidazole
CID 22989694
2-(4-methoxyphenyl)-4-(4-nitrophenyl)-5-(trifluoromethyl)pyrimidine
CID 152591801
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 69376666
2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158613
4-nitropyridine;hydrate
CID 132647818
2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole
CID 21408768
2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
CID 130328210

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (CID 141185817) is 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is O=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)n3ccncc23)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The InChIKey is NHENAYPKOMAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2/c14-13(15,16)12-18-11(10-7-17-5-6-19(10)12)8-1-3-9(4-2-8)20(21)22/h1-7H.
What are the key properties of 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine has a molecular weight of 308.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 141185817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).