Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CC(C)(C)O)n1- InChIKey
WOUSEDUAVIOHQW-ZDUSSCGKSA-N- Molecular formula
- C18H32N4O4
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- {(S)-1-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-ylcarbamoyl]-3-methyl-butyl}-carbamic acid t-butyl ester
- IUPAC
- tert-butyl N-[(2S)-1-[[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
SCHEMBL2700793WOUSEDUAVIOHQW-ZDUSSCGKSA-NDB-188970{(S)-1-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-ylcarbamoyl]-3-methyl-butyl}-carbamic acid t-butyl ester1192001-64-1Tert-butyl (s)-1-(1-(2-hydroxy-2-methylpropyl)-1h-pyrazol-3-ylcarbamoyl)-3-methylbutylcarbamate
Database identifiers
- PubChem CID
- 67504285
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
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