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308847-51-0 | 1H-Pyrazole, 1,1',1''-methylidynetris[3-(1-methylethyl)-
CAS No: 308847-51-0 Catalog No: AG0031L3 MDL No:
Product Description
Catalog Number:
AG0031L3
Chemical Name:
1H-Pyrazole, 1,1',1''-methylidynetris[3-(1-methylethyl)-
CAS Number:
308847-51-0
Molecular Formula:
C19H28N6
Molecular Weight:
340.4658
IUPAC Name:
1-[bis(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole
InChI:
InChI=1S/C19H28N6/c1-13(2)16-7-10-23(20-16)19(24-11-8-17(21-24)14(3)4)25-12-9-18(22-25)15(5)6/h7-15,19H,1-6H3
InChI Key:
UJEDZDVJYHKUAU-UHFFFAOYSA-N
SMILES:
CC(c1ccn(n1)C(n1ccc(n1)C(C)C)n1ccc(n1)C(C)C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.238g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.475g/mol
Monoisotopic Mass:
340.238g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Synthesis, structure, spectra and reactivity of iron(III) complexes of imidazole and pyrazole containing ligands as functional models for catechol dioxygenases. | Dalton transactions (Cambridge, England : 2003) 20091021 |
| Synthesis of zinc, copper, nickel, cobalt, and iron complexes using tris(pyrazolyl)methane sulfonate ligands: a structural model for N,N,O binding in metalloenzymes. | Inorganic chemistry 20060306 |
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