Chemical Properties of 1H-Pyrazole, 3,5-bis(1,1-dimethylethyl)-4-methyl- (CAS 18712-47-5)

InChI

InChI=1S/C12H22N2/c1-8-9(11(2,3)4)13-14-10(8)12(5,6)7/h1-7H3,(H,13,14)

InChI Key

HHGNOUNFOWXKFN-UHFFFAOYSA-N

Formula

C12H22N2

SMILES

Cc1c(C(C)(C)C)n[nH]c1C(C)(C)C

Molecular Weight¹

194.32

CAS

18712-47-5

Other Names

• 3,5-di-tert-Butyl-4-methyl-1H-pyrazole
• 3,5-di-t-Butyl-4-methylpyrazole

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Similar Compounds

Find more compounds similar to 1H-Pyrazole, 3,5-bis(1,1-dimethylethyl)-4-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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