3-tert-butyl-1H-pyrazole-4-carbonitrile structure

3-tert-butyl-1H-pyrazole-4-carbonitrile

5-tert-butyl-1H-pyrazole-4-carbonitrile

Also Known As: 3-tert-butyl-1H-pyrazole-4-carbonitrile|3-(Tert-Butyl)Pyrazole-4-Carbonitrile|5-tert-butyl-1H-pyrazole-4-carbonitrile|3-t-butyl-4-cyanopyrazole|3-tert-Butyl-4-cyano-1H-pyrazole|3-(tert-Butyl)-1H-pyrazole-4-carbonitrile|MS-7204|KS-0000290A|3-tert-butyl-2H-pyrazole-4-carbonitrile|J2.498.383H|3-(1,1-dimethylethyl)-1h-pyrazole-4-carbonitrile|1H-Pyrazole-4-carbonitrile, 3-(1,1-dimethylethyl)-

CAS: 875554-79-3
Molecular Formula C8H11N3
Molecular Weight 149.09529 g/mol
LogP 1.57888
Topological Polar Surface Area 52.47 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 149.09529
Monoisotopic Mass 149.09529
Heavy Atoms 11
Complexity 285.0212

Chemical Identifiers

CAS Number 875554-79-3
SMILES CC(C)(C)C1=C(C=NN1)C#N

Product Overview

3-tert-butyl-1H-pyrazole-4-carbonitrile (CAS 875554-79-3), with molecular formula C8H11N3 and molecular weight 149.09529 g/mol. IUPAC: 5-tert-butyl-1H-pyrazole-4-carbonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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