3-(1-tert-butyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propanal

HCID 86639925
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Basic information

Standard SMILES
CC(C)(C)n1nc(CCC=O)cc1-c1cccs1
InChIKey
JCGSLQAQQBGZQK-UHFFFAOYSA-N
Molecular formula
C14H18N2OS
Average molar mass
262.37 g/mol
Monoisotopic mass
262.11398438

Names & identifiers

Preferred name
3-(1-tert-butyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propanal
IUPAC
3-(1-tert-butyl-5-thiophen-2-ylpyrazol-3-yl)propanal

Names & synonyms

SCHEMBL3226503JCGSLQAQQBGZQK-UHFFFAOYSA-N3-(1-tert-butyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propanal

Database identifiers

PubChem CID
86639925

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
63.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

Related reactions

24 records
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Linked notes

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