3-(1-tert-butyl-5-p-tolyl-1H-pyrazol-3-yl)propanal

HCID 86639917
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Basic information

Standard SMILES
Cc1ccc(-c2cc(CCC=O)nn2C(C)(C)C)cc1
InChIKey
PMUNUKNGIAQOAC-UHFFFAOYSA-N
Molecular formula
C17H22N2O
Average molar mass
270.37 g/mol

Names & identifiers

Preferred name
3-(1-tert-butyl-5-p-tolyl-1H-pyrazol-3-yl)propanal
IUPAC
3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propanal

Names & synonyms

SCHEMBL3226516PMUNUKNGIAQOAC-UHFFFAOYSA-N3-(1-tert-butyl-5-p-tolyl-1H-pyrazol-3-yl)propanal

Database identifiers

PubChem CID
86639917

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20

Related reactions

29 records
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Linked notes

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