2-Amino-3-({2-nitrophenyl}diazenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
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Basic information
- CAS
392729-17-8- Standard SMILES
Cc1cc(C(F)(F)F)n2nc(N)c(N=Nc3ccccc3[N+](=O)[O-])c2n1- InChIKey
PAXDIVJVCDJBQJ-UHFFFAOYSA-N- Molecular formula
- C14H10F3N7O2
- Average molar mass
- 365.27 g/mol
- Monoisotopic mass
- 365.08480707
Names & identifiers
- Preferred name
- 2-Amino-3-({2-nitrophenyl}diazenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 5-methyl-3-[(2-nitrophenyl)diazenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
- English name
- 2-amino-3-({2-nitrophenyl}diazenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C14H10F3N7O2
- Molecular weight
- 365.27
Names & synonyms
2-amino-3-({2-nitrophenyl}diazenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidineAKOS0049084825-methyl-3-[(2-nitrophenyl)diazenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amineST50990978AI-219/330120215-methyl-3-[(2-nitrophenyl)diazenyl]-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a ]pyrimidine-2-ylaminePyrazolo[1,5-a]pyrimidin-2-amine, 5-methyl-3-[2-(2-nitrophenyl)diazenyl]-7-(trifluoromethyl)-
Database identifiers
- CAS
392729-17-8- PubChem CID
- 2753754
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -0.98 · -0.98±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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