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Home Other Building Blocks 3-tert-Butyl-1H-pyrazole

3-tert-Butyl-1H-pyrazole

CAS No.:
15802-80-9
Catalog Number:
AG001PWU
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$94
- +
5g
97%
In Stock USA
United States
$263
- +
10g
97%
In Stock USA
United States
$344
- +
25g
97%
In Stock USA
United States
$844
- +
Product Description
Catalog Number:
AG001PWU
Chemical Name:
3-tert-Butyl-1H-pyrazole
CAS Number:
15802-80-9
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD00127337
IUPAC Name:
5-tert-butyl-1H-pyrazole
InChI:
InChI=1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)
InChI Key:
YIDCITOHTLPMMZ-UHFFFAOYSA-N
SMILES:
CC(c1cc[nH]n1)(C)C
Properties
Complexity:
93.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Pyrazole complexes as anion receptors: effects of changing the metal, the pyrazole substitution pattern, and the number of pyrazole ligands. Inorganic chemistry 20070416
Homoleptic zinc(II) complexes with first and second coordination shells of 5-tert-butylpyrazole. Inorganic chemistry 20061016
Pyrazolato-bridged polynuclear palladium and platinum complexes. Synthesis, structure, and reactivity. Inorganic chemistry 20030616
Tetrakis(5-tert-butylpyrazole-1kappaN2)tetrachloro-1kappaCl,2kappa3Cl-micro-oxo-1:2kappa2O-diiron(III). Acta crystallographica. Section C, Crystal structure communications 20020501
Two complexes of CuBr(2) with 5-tert-butylpyrazole. Acta crystallographica. Section C, Crystal structure communications 20011101
Properties