5-tert-butyl 1-ethyl 3-amino-1H-thieno[2,3-c]pyrazole-1,5-dicarboxylate

HCID 57737272
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Basic information

Standard SMILES
CCOC(=O)n1nc(N)c2cc(C(=O)OC(C)(C)C)sc21
InChIKey
SMKJONBMDXQFKX-UHFFFAOYSA-N
Molecular formula
C13H17N3O4S
Average molar mass
311.36 g/mol

Names & identifiers

Preferred name
5-tert-butyl 1-ethyl 3-amino-1H-thieno[2,3-c]pyrazole-1,5-dicarboxylate
IUPAC
5-O-tert-butyl 1-O-ethyl 3-aminothieno[3,2-d]pyrazole-1,5-dicarboxylate

Names & synonyms

SCHEMBL742358SMKJONBMDXQFKX-UHFFFAOYSA-N5-tert-butyl 1-ethyl 3-amino-1H-thieno[2,3-c]pyrazole-1,5-dicarboxylate

Database identifiers

PubChem CID
57737272

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
21

Related reactions

8 records
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Compound notes

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