N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Basic information
- CAS
5839-13-4- Standard SMILES
COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1OC- InChIKey
BBWVEHSVQLVGQL-UHFFFAOYSA-N- Molecular formula
- C20H15F3N4O4
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.10453946
Names & identifiers
- Preferred name
- N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
- IUPAC
- N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Names & synonyms
N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide5839-13-4SMR000105269MLS000109325N-(3,4-dimethoxyphenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamideCBMicro_035043CHEMBL1370919SCHEMBL13856428BDBM37241cid_1361318DTXSID70362107BBWVEHSVQLVGQL-UHFFFAOYSA-N
Show more names
HMS2279B04MFCD01528271AKOS001688011CCG-120714BIM-0034878.P001N-(3,4-dimethoxyphenyl)-5-(2-furanyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
Database identifiers
- CAS
5839-13-4- PubChem CID
- 1361318
- DTXSID
DTXSID70362107- ChEMBL
CHEMBL1370919
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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