Basic information
- Standard SMILES
COc1ccc(C#Cc2cnc3cc(C(C)(C)C)nn3c2)cc1- InChIKey
MPTCZICCZZYXLT-UHFFFAOYSA-N- Molecular formula
- C19H19N3O
- Average molar mass
- 305.4 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-6-(4-methoxy-phenylethynyl)-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 2-tert-butyl-6-[2-(4-methoxyphenyl)ethynyl]pyrazolo[1,5-a]pyrimidine
Names & synonyms
SCHEMBL1990296MPTCZICCZZYXLT-UHFFFAOYSA-N2-tert-Butyl-6-(4-methoxy-phenylethynyl)-pyrazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 53247201
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Related reactions
3 records
Compound notes
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