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Basic information
- Standard SMILES
Cn1ncc(CCCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
ZAJHZAYLEUXJLZ-UHFFFAOYSA-N- Molecular formula
- C31H36N4O2
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.2838264
Names & identifiers
- Preferred name
- tert-butyl 3-[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]propylcarbamate
- IUPAC
- tert-butyl N-[3-[1-methyl-5-(tritylamino)pyrazol-4-yl]propyl]carbamate
Names & synonyms
SCHEMBL5148605ZAJHZAYLEUXJLZ-UHFFFAOYSA-Ntert-butyl 3-[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]propylcarbamate
Database identifiers
- PubChem CID
- 11634672
- Nikkaji
- J2.830.772A
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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