Cas no 769132-77-6 (3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid)

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid structure
769132-77-6 structure
Product Name:3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No:769132-77-6
MF:C9H14N2O2
MW:182.219662189484
MDL:MFCD05670720
CID:822868
PubChem ID:3159609
Update Time:2025-09-23

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid
    • 2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
    • 5-Isobutyl-2-methyl-2H-pyrazole-3-carboxylic acid
    • 3-isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
    • 3-Isobutyl-1-methylpyrazole-5-carboxylic Acid
    • BB 0256532
    • F17241
    • SCHEMBL2215247
    • AKOS000303323
    • MS-3690
    • DTXSID80390193
    • CS-0061034
    • MFCD05670720
    • 769132-77-6
    • AMY11920
    • 3-ISOBUTYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLICACID
    • Z1198166002
    • 1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid
    • SY272382
    • FT-0754517
    • EN300-194308
    • A865392
    • 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
    • ALBB-029066
    • BBL011136
    • DB-014302
    • 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(2-methylpropyl)-
    • STK802440
    • MDL: MFCD05670720
    • Inchi: 1S/C9H14N2O2/c1-6(2)4-7-5-8(9(12)13)11(3)10-7/h5-6H,4H2,1-3H3,(H,12,13)
    • InChI Key: FNZPEHCXMGHUNY-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(CC(C)C)=NN1C)=O

Computed Properties

  • Exact Mass: 182.10600
  • Monoisotopic Mass: 182.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 194
  • 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: 1.7
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12000
  • LogP: 1.31680

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic 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-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid Pricemore >>

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