2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
Basic information
- CAS
955964-67-7- Standard SMILES
Cn1ncc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(N)n3n2)c1C(F)(F)F- InChIKey
QJRKCSHCPKYFEW-UHFFFAOYSA-N- Molecular formula
- C17H13F3N6O2S
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.07727934
Names & identifiers
- Preferred name
- 2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine
- IUPAC
- 6-(benzenesulfonyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
Names & synonyms
955964-67-72-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine6-(benzenesulfonyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine6-(benzenesulfonyl)-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amineDTXSID801114284AKOS0050995476T-0920
Database identifiers
- CAS
955964-67-7- PubChem CID
- 1481807
- DTXSID
DTXSID801114284
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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