Cas no 3463-27-2 (1-Methyl-5-phenyl-1H-pyrazole)

1-Methyl-5-phenyl-1H-pyrazole is a heterocyclic organic compound featuring a pyrazole core substituted with a methyl group at the 1-position and a phenyl group at the 5-position. This structure imparts versatility in synthetic applications, particularly as a key intermediate in pharmaceuticals, agrochemicals, and material science. Its rigid aromatic framework enhances stability, while the reactive nitrogen sites allow for further functionalization. The compound exhibits favorable solubility in common organic solvents, facilitating its use in diverse reaction conditions. Its well-defined molecular architecture makes it valuable for designing biologically active molecules, including potential inhibitors or ligands in medicinal chemistry research.
1-Methyl-5-phenyl-1H-pyrazole structure
1-Methyl-5-phenyl-1H-pyrazole structure
Product Name:1-Methyl-5-phenyl-1H-pyrazole
CAS No:3463-27-2
MF:C10H10N2
MW:158.199801921844
MDL:MFCD14643706
CID:95147
PubChem ID:137947
Update Time:2025-06-07

1-Methyl-5-phenyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-5-phenyl-1H-pyrazole
    • 1-methyl-5-phenylpyrazole
    • 1H-pyrazole, 1-methyl-5-phenyl-
    • 5-Phenyl-1-methylpyrazole
    • SCHEMBL3926262
    • DS-6691
    • FT-0732091
    • AMY11893
    • AKOS005169503
    • NLHYNCJBWXKZGP-UHFFFAOYSA-N
    • EN300-232596
    • O10429
    • InChI=1/C10H10N2/c1-12-10(7-8-11-12)9-5-3-2-4-6-9/h2-8H,1H
    • CS-0215305
    • DTXSID50188201
    • 3463-27-2
    • A6086
    • 1-methyl-5-phenyl-pyrazole
    • MFCD14643706
    • STL583932
    • DA-16840
    • MDL: MFCD14643706
    • Inchi: 1S/C10H10N2/c1-12-10(7-8-11-12)9-5-3-2-4-6-9/h2-8H,1H3
    • InChI Key: NLHYNCJBWXKZGP-UHFFFAOYSA-N
    • SMILES: N1(C)C(=CC=N1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 158.0845
  • Monoisotopic Mass: 158.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 141
  • 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
  • Topological Polar Surface Area: 17.8A^2
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.04±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 118 oC (12 Torr)
  • Flash Point: 123.4±18.7 oC,
  • Refractive Index: 1.6392 (estimate)
  • Solubility: Very slightly soluble (0.28 g/l) (25 o C),
  • PSA: 17.82

1-Methyl-5-phenyl-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
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abcr
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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TRC
M116710-250mg
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