Basic information
- Standard SMILES
CC(C)(C)c1cc2ncc(C#Cc3ccc(N)cc3)cn2n1- InChIKey
RCVWRIXTPVWXIF-UHFFFAOYSA-N- Molecular formula
- C18H18N4
- Average molar mass
- 290.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-tert-Butyl-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)-phenylamine
- IUPAC
- 4-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-6-yl)ethynyl]aniline
Names & synonyms
SCHEMBL1995378RCVWRIXTPVWXIF-UHFFFAOYSA-N4-(2-tert-Butyl-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)-phenylamine
Database identifiers
- PubChem CID
- 53247334
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Related reactions
3 records
Compound notes
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