5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Basic information
- CAS
489450-11-5- Standard SMILES
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cn(C)nc4C)cc3n2)cc1OC- InChIKey
SLTSFMCJAAKGJV-UHFFFAOYSA-N- Molecular formula
- C22H21F3N6O3
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 474.16272304
Names & identifiers
- Preferred name
- 5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C22H21F3N6O3
- Molecular weight
- 474.4357496
Names & synonyms
5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(3,4-dimethoxyphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideSTK959271AKOS001698262AK-968/15360375489450-11-5
Database identifiers
- CAS
489450-11-5- PubChem CID
- 4520048
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 716
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