Cas no 72145-00-7 (3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid)

3-(3-Methyl-1H-pyrazol-1-yl)propanoic acid is a heterocyclic carboxylic acid derivative featuring a pyrazole ring substituted with a methyl group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its pyrazole moiety offers structural diversity, enabling applications in ligand design and bioactive molecule construction. The propanoic acid side chain enhances solubility and reactivity, facilitating further functionalization. The compound’s stability and well-defined reactivity profile make it suitable for use in coupling reactions and as a building block for more complex heterocyclic systems. It is typically handled under standard laboratory conditions, with purity verified by analytical techniques such as HPLC or NMR.
3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid structure
72145-00-7 structure
Product Name:3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid
CAS No:72145-00-7
MF:C7H10N2O2
MW:154.166501522064
MDL:MFCD00577274
CID:549083
PubChem ID:329775487
Update Time:2025-06-07

3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-1-propanoicacid, 3-methyl-
    • 3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
    • 3-(3-methylpyrazol-1-yl)propanoic acid
    • 3-(3-Methyl-pyrazol-1-yl)-propionic acid
    • 3-(3-methyl-1H-pyrazol-1-yl)propanoic acid(SALTDATA: FREE)
    • 3-Methylpyrazole-1-propionicacid
    • HMS2697K06
    • MLS000714416
    • F16129
    • SCHEMBL6889406
    • 72145-00-7
    • FT-0738316
    • SMR000274395
    • CS-0262712
    • AKOS000300262
    • MFCD00577274
    • 3-(3-methyl-1H-pyrazol-1-yl)propanoicacid
    • EN300-83561
    • HMS1648D15
    • 3-(3-Methyl-1H-pyrazol-1-yl)propanoic acid, AldrichCPR
    • DTXSID80354598
    • FS-1866
    • CHEMBL1886733
    • AG-664/25098017
    • DB-027717
    • STK289625
    • BBL007628
    • ALBB-004642
    • 3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid
    • MDL: MFCD00577274
    • Inchi: 1S/C7H10N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11)
    • InChI Key: FPLLCFQUZAEVIE-UHFFFAOYSA-N
    • SMILES: OC(CCN1C=CC(C)=N1)=O

Computed Properties

  • Exact Mass: 154.07400
  • Monoisotopic Mass: 154.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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: 0.1
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 317.5±25.0 °C at 760 mmHg
  • Flash Point: 145.8±23.2 °C
  • Refractive Index: 1.561
  • PSA: 55.12000
  • LogP: 0.66620
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid Security Information

  • Signal Word:warning
  • Hazard Statement: H303+H313+H333
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid 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%

3-(3-Methyl-1H-pyrazol-1-yl)propanoic Acid Pricemore >>

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