3,3-dimethyl-N-(3-{[4-(trifluoromethoxy)phenyl]ethynyl}pyrazolo[1,5-a]pyrimidin-2-yl)butanamide

HCID 68748972
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Basic information

Standard SMILES
CC(C)(C)CC(=O)Nc1nn2cccnc2c1C#Cc1ccc(OC(F)(F)F)cc1
InChIKey
HBTQEGDKJPJXIM-UHFFFAOYSA-N
Molecular formula
C21H19F3N4O2
Average molar mass
416.4 g/mol

Names & identifiers

Preferred name
3,3-dimethyl-N-(3-{[4-(trifluoromethoxy)phenyl]ethynyl}pyrazolo[1,5-a]pyrimidin-2-yl)butanamide
IUPAC
3,3-dimethyl-N-[3-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrazolo[1,5-a]pyrimidin-2-yl]butanamide

Names & synonyms

3,3-dimethyl-N-(3-{[4-(trifluoromethoxy)phenyl]ethynyl}pyrazolo[1,5-a]pyrimidin-2-yl)butanamideSCHEMBL3698743

Database identifiers

PubChem CID
68748972

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
68.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
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Compound notes

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