4-Tert-butoxycarbonylaminomethyl-1-ethyl-5-tritylaminopyrazole
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Basic information
- Standard SMILES
CCn1ncc(CNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LVUJTDBSUPKQEM-UHFFFAOYSA-N- Molecular formula
- C30H34N4O2
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.26817634
Names & identifiers
- Preferred name
- 4-Tert-butoxycarbonylaminomethyl-1-ethyl-5-tritylaminopyrazole
- IUPAC
- tert-butyl N-[[1-ethyl-5-(tritylamino)pyrazol-4-yl]methyl]carbamate
Names & synonyms
SCHEMBL5147587LVUJTDBSUPKQEM-UHFFFAOYSA-N4-tert-butoxycarbonylaminomethyl-1-ethyl-5-tritylaminopyrazole
Database identifiers
- PubChem CID
- 17962001
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 629
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Related reactions
1 records
Compound notes
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