Cas no 1101877-35-3 (methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate)

methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate structure
1101877-35-3 structure
Product Name:methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate
CAS No:1101877-35-3
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD09834277
CID:1029487
PubChem ID:25248195
Update Time:2025-04-20

methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-isopropyl-1H-pyrazole-3-carboxylate
    • methyl 5-propan-2-yl-1H-pyrazole-3-carboxylate
    • ACN-P001026
    • methyl 3-(methylethyl)pyrazole-5-carboxylate
    • MolPort-004-853-427
    • MolPort-015-095-923
    • SBB025868
    • STK352797
    • methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate
    • DB-370949
    • EN300-231849
    • 1101877-35-3
    • DTXSID60649474
    • CS-0215284
    • BBL031515
    • Methyl 5-(propan-2-yl)-1H-pyrazole-3-carboxylate
    • G30281
    • MFCD09834277
    • AKOS009548756
    • SCHEMBL26924230
    • Methyl 3-isopropyl-1H-pyrazole-5-carboxylate
    • AKOS005168569
    • methyl5-isopropyl-1H-pyrazole-3-carboxylate
    • VS-10557
    • BUB87735
    • Z425822748
    • MDL： MFCD09834277
    • Inchi： 1S/C8H12N2O2/c1-5(2)6-4-7(10-9-6)8(11)12-3/h4-5H,1-3H3,(H,9,10)
    • InChI Key： CWOFANOGQNEOTQ-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C(C)C)NN=1)=O

Computed Properties

  • Exact Mass: 168.08996
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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: 1.6
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 299.5±28.0 °C at 760 mmHg
  • Flash Point: 134.9±24.0 °C
  • PSA: 54.98
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate Security Information

methyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate Pricemore >>

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AB551889-100 mg
Methyl 3-isopropyl-1H-pyrazole-5-carboxylate; .
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 €220.50 2022-03-01
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AB551889-250 mg
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 €257.30 2022-03-01
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AB551889-5 g
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 €1,082.80 2022-03-01
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AB551889-250mg
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AB551889-1g
Methyl 3-isopropyl-1H-pyrazole-5-carboxylate; .
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AB551889-5g
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