5-Methyl-3-p-isopropylphenylpyrazole - CAS 1035092-07-9
Catalog: |
BB059610 |
Product Name: |
5-Methyl-3-p-isopropylphenylpyrazole |
CAS: |
1035092-07-9 |
Synonyms: |
5-Methyl-3-[4-(1-methylethyl)phenyl]-1H-pyrazole; 3-Cumenyl-5-methylpyrazole |
IUPAC Name: | 5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazole |
Description: | Used in the syntheses of nickel(II), zinc(II) and palladium(II) complexes derived from three pyrazole-based polydentate ligands. |
Molecular Weight: | 200.28 |
Molecular Formula: | C13H16N2 |
Canonical SMILES: | CC1=CC(=NN1)C2=CC=C(C=C2)C(C)C |
InChI: | InChI=1S/C13H16N2/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14-15-13/h4-9H,1-3H3,(H,14,15) |
InChI Key: | XPSNOXNONNFMKA-UHFFFAOYSA-N |
References: | Trofimenko, S., et al. Chem. Rev., 93, 943 (1993), Bonomo, R., et al. J. Inorg. Biochem., 53, 127 (1994),. |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.131348519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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