Cas no 87412-96-2 (1,3-Dimethyl-1H-pyrazole-4-carbonitrile)

1,3-Dimethyl-1H-pyrazole-4-carbonitrile is a heterocyclic organic compound featuring a pyrazole core substituted with methyl groups at the 1 and 3 positions and a nitrile functional group at the 4 position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. Its nitrile group offers reactivity for further functionalization, while the pyrazole scaffold contributes to stability and binding affinity in bioactive molecules. The compound is valued for its consistent purity, well-characterized properties, and utility in constructing complex molecular frameworks. Suitable for research and industrial use, it adheres to standard handling protocols for nitrile-containing compounds.
1,3-Dimethyl-1H-pyrazole-4-carbonitrile structure
87412-96-2 structure
Product Name:1,3-Dimethyl-1H-pyrazole-4-carbonitrile
CAS No:87412-96-2
MF:C6H7N3
MW:121.139880418777
MDL:MFCD04969706
CID:992525
PubChem ID:19620695
Update Time:2025-06-08

1,3-Dimethyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dimethyl-1H-pyrazole-4-carbonitrile
    • 1,3-dimethylpyrazole-4-carbonitrile
    • 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)
    • CS-0282565
    • C91538
    • 87412-96-2
    • DTXSID60599122
    • LS-05924
    • AB20878
    • AKOS000309838
    • FT-0768271
    • A898080
    • EN300-229464
    • SCHEMBL4355665
    • 1,3-Dimethyl-1H-pyrazole-4-carbonitrile, AldrichCPR
    • MFCD04969706
    • BBL039936
    • DA-19437
    • STK349585
    • ALBB-017921
    • 1H-PYRAZOLE-4-CARBONITRILE, 1,3-DIMETHYL-
    • MDL： MFCD04969706
    • Inchi： 1S/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3
    • InChI Key： XOFOOXWGRXHZKD-UHFFFAOYSA-N
    • SMILES： N1(C)C=C(C#N)C(C)=N1

Computed Properties

  • Exact Mass: 121.06400
  • Monoisotopic Mass: 121.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 146
  • 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: 0.4
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.61000
  • LogP: 0.60018

1,3-Dimethyl-1H-pyrazole-4-carbonitrile Security Information

  • Hazardous Material transportation number：NONH for all modes of transport

1,3-Dimethyl-1H-pyrazole-4-carbonitrile Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1,3-Dimethyl-1H-pyrazole-4-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 10 min, rt
Reference
Utilization of 2-ethoxymethylene-3-oxobutanenitrile in the synthesis of heterocycles possessing biological activity
Cernuchova, Petra; et al, Tetrahedron, 2005, 61(22), 5379-5387

1,3-Dimethyl-1H-pyrazole-4-carbonitrile Raw materials

1,3-Dimethyl-1H-pyrazole-4-carbonitrile Preparation Products

1,3-Dimethyl-1H-pyrazole-4-carbonitrile Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:87412-96-2)1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)
Order Number:sfd2319
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally

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Suzhou Senfeida Chemical Co., Ltd
(CAS:87412-96-2)1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)
sfd2319
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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