Basic information
- Standard SMILES
COC(=O)c1ccc(-n2ncc(C(=O)OC(C)(C)C)c2N)cc1- InChIKey
CCSLURICOOQSKF-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.1375561
Names & identifiers
- Preferred name
- Tert-butyl 5-amino-1-(4-methoxycarbonylphenyl)pyrazole-4-carboxylate
- IUPAC
- tert-butyl 5-amino-1-(4-methoxycarbonylphenyl)pyrazole-4-carboxylate
Names & synonyms
tert-butyl 5-amino-1-(4-methoxycarbonylphenyl)pyrazole-4-carboxylate1048669-27-7SCHEMBL1402881CCSLURICOOQSKF-UHFFFAOYSA-NDB-335742
Database identifiers
- PubChem CID
- 57437895
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Related reactions
3 records
Compound notes
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