Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(Cn2cccn2)C1- InChIKey
VLPGORQJZKOHFB-UHFFFAOYSA-N- Molecular formula
- C12H19N3O2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.14772686
Names & identifiers
- Preferred name
- 3-Pyrazol-1-ylmethyl-azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(pyrazol-1-ylmethyl)azetidine-1-carboxylate
Names & synonyms
SCHEMBL9947804VLPGORQJZKOHFB-UHFFFAOYSA-N3-Pyrazol-1-ylmethyl-azetidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67979283
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
2 records
Compound notes
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