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Basic information
- Standard SMILES
CCCC1CC(=O)N(Cc2c(C(C)(C)C)nn3cc(Br)cnc23)C1- InChIKey
OXGWIBUNRHWSHC-UHFFFAOYSA-N- Molecular formula
- C18H25BrN4O
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.12117
Names & identifiers
- Preferred name
- 1-[(6-Bromo-2-tertbutylpyrazolo(1,5-a)pyrimidin-3-yl)methyl]-4-propylpyrrolidin-2-one
- IUPAC
- 1-[(6-bromo-2-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-propylpyrrolidin-2-one
Names & synonyms
SCHEMBL1665786OXGWIBUNRHWSHC-UHFFFAOYSA-N1-[(6-bromo-2-tertbutylpyrazolo(1,5-a)pyrimidin-3-yl)methyl]-4-propylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 57743077
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
5 records
Compound notes
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