Cas no 684236-66-6 (methyl 5-acetyl-1H-pyrazole-3-carboxylate)

methyl 5-acetyl-1H-pyrazole-3-carboxylate structure
684236-66-6 structure
Product Name:methyl 5-acetyl-1H-pyrazole-3-carboxylate
CAS No:684236-66-6
MF:C7H8N2O3
MW:168.15002155304
CID:1017619
PubChem ID:16767345
Update Time:2025-04-20

methyl 5-acetyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-acetyl-1H-pyrazole-3-carboxylat
    • 1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester (9CI)
    • ETHYL 2-THIOURACIL-5-CARBOXYLATE
    • methyl 3-acetyl-1H-pyrazole-5-carboxylate
    • 1H-pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester
    • LogP
    • methyl 5-acetyl-1H-pyrazole-3-carboxylate
    • DTXSID90587971
    • AKOS005604747
    • SCHEMBL17672394
    • SCHEMBL1812854
    • NRXWBQBIHNVOFA-UHFFFAOYSA-N
    • MFCD09028401
    • SY348499
    • 684236-66-6
    • DB-113578
    • STK693415
    • Inchi： 1S/C7H8N2O3/c1-4(10)5-3-6(9-8-5)7(11)12-2/h3H,1-2H3,(H,8,9)
    • InChI Key： NRXWBQBIHNVOFA-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=CC(C(C)=O)=NN1)=O

Computed Properties

  • Exact Mass: 168.05354
  • Monoisotopic Mass: 168.053492
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 205
  • 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: 72
  • XLogP3: 0.4

Experimental Properties

  • Density: 1.289
  • Boiling Point: 379°C at 760 mmHg
  • Flash Point: 183°C
  • Refractive Index: 1.534
  • PSA: 72.05

methyl 5-acetyl-1H-pyrazole-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB553510-500 mg
Methyl 5-acetyl-1H-pyrazole-3-carboxylate; .
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 €688.90 2022-03-01
abcr
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PBZ1587-250.0mg
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PBZ1587-500.0mg
methyl 5-acetyl-1H-pyrazole-3-carboxylate
 684236-66-6 95%
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 ￥1280.0000 2025-04-11
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PBZ1587-1.0g
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PBZ1587-100mg
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 684236-66-6 95%
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