Cas no 828-87-5 (5-Methyl-1-(p-tolyl)-1H-pyrazole)

5-Methyl-1-(p-tolyl)-1H-pyrazole structure
828-87-5 structure
Product Name:5-Methyl-1-(p-tolyl)-1H-pyrazole
CAS No:828-87-5
MF:C11H12N2
MW:172.226382255554
CID:95164
PubChem ID:53302146
Update Time:2025-09-20

5-Methyl-1-(p-tolyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-1-(p-tolyl)-1H-pyrazole
    • 5-methyl-1-(4-methylphenyl)pyrazole
    • 5-methyl-1-p-tolyl-1H-pyrazole
    • 5-Methyl-1-(4-methylphenyl)-1H-pyrazole (ACI)
    • Pyrazole, 5-methyl-1-p-tolyl- (7CI, 8CI)
    • 828-87-5
    • SCHEMBL23130273
    • DTXSID40693334
    • 5-Methyl-1-(4-methylphenyl)-1H-pyrazole
    • AKOS010087245
    • Inchi： 1S/C11H12N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-8H,1-2H3
    • InChI Key： MLWAWLUISSQJJO-UHFFFAOYSA-N
    • SMILES： N1N(C2C=CC(C)=CC=2)C(C)=CC=1

Computed Properties

  • Exact Mass: 172.100048391g/mol
  • Monoisotopic Mass: 172.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Density: 1.03±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 272 oC
  • Flash Point: 117.0±21.5 oC,
  • Solubility: Very slightly soluble (0.4 g/l) (25 o C),

5-Methyl-1-(p-tolyl)-1H-pyrazole Pricemore >>

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5-Methyl-1-(p-tolyl)-1H-pyrazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Glycerol ;  3 h, 270 °C; cooled
Reference
Functionalized 4-Aminoquinolines by Rearrangement of Pyrazole N-Heterocyclic Carbenes
Schmidt, Andreas; et al, Angewandte Chemie, 2010, 49(15), 2790-2793

Production Method 2

Reaction Conditions
1.1 Catalysts: Iodine Solvents: Ethanol ;  1 h, rt → reflux
1.2 Reagents: Sodium thiosulfate Solvents: Water
Reference
I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines
Zhang, Xinting; et al, Journal of Organic Chemistry, 2014, 79(21), 10170-10178

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethanol ;  rt; 5 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 1
2.1 Reagents: Glycerol ;  3 h, 270 °C; cooled
Reference
Functionalized 4-Aminoquinolines by Rearrangement of Pyrazole N-Heterocyclic Carbenes
Schmidt, Andreas; et al, Angewandte Chemie, 2010, 49(15), 2790-2793

Production Method 4

Reaction Conditions
1.1 Solvents: Ethanol ;  2 h, reflux; reflux → rt
2.1 Reagents: Potassium hydroxide Solvents: Ethanol ;  rt; 5 h, reflux
2.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 1
3.1 Reagents: Glycerol ;  3 h, 270 °C; cooled
Reference
Functionalized 4-Aminoquinolines by Rearrangement of Pyrazole N-Heterocyclic Carbenes
Schmidt, Andreas; et al, Angewandte Chemie, 2010, 49(15), 2790-2793

5-Methyl-1-(p-tolyl)-1H-pyrazole Raw materials

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