Cas no 1695222-17-3 (3-Methyl-1-(propan-2-yl)-1h-pyrazole-4-carbonitrile)

3-Methyl-1-(propan-2-yl)-1h-pyrazole-4-carbonitrile structure
1695222-17-3 structure
Product Name:3-Methyl-1-(propan-2-yl)-1h-pyrazole-4-carbonitrile
CAS No:1695222-17-3
MF:C8H11N3
MW:149.193041086197
CID:5702233
PubChem ID:69016354
Update Time:2023-10-14

3-Methyl-1-(propan-2-yl)-1h-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • EN300-1460980
    • 1695222-17-3
    • SCHEMBL4361482
    • 3-METHYL-1-(PROPAN-2-YL)-1H-PYRAZOLE-4-CARBONITRILE
    • 1H-Pyrazole-4-carbonitrile, 3-methyl-1-(1-methylethyl)-
    • 3-Methyl-1-(1-methylethyl)-1H-pyrazol-4-carbonitrile
    • 3-Methyl-1-(propan-2-yl)-1h-pyrazole-4-carbonitrile
    • Inchi： 1S/C8H11N3/c1-6(2)11-5-8(4-9)7(3)10-11/h5-6H,1-3H3
    • InChI Key： ZLJGBTMEPGWSJG-UHFFFAOYSA-N
    • SMILES： N1(C(C)C)C=C(C#N)C(C)=N1

Computed Properties

  • Exact Mass: 149.095297364g/mol
  • Monoisotopic Mass: 149.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 179
  • 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: 1.1
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.04±0.1 g/cm3(Predicted)
  • Boiling Point: 252.0±20.0 °C(Predicted)
  • pka: -0.90±0.10(Predicted)

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1460980-0.05g
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
 1695222-17-3
0.05g
 $792.0 2023-05-23
Enamine
EN300-1460980-0.1g
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
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Enamine
EN300-1460980-0.25g
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 $867.0 2023-05-23
Enamine
EN300-1460980-0.5g
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 $905.0 2023-05-23
Enamine
EN300-1460980-1.0g
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 1695222-17-3
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 $943.0 2023-05-23
Enamine
EN300-1460980-2.5g
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Enamine
EN300-1460980-5.0g
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
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 $2732.0 2023-05-23
Enamine
EN300-1460980-10.0g
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
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Enamine
EN300-1460980-50mg
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
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Enamine
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