Cas no 350999-89-2 (3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde)

3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde structure
350999-89-2 structure
Product Name:3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CAS No:350999-89-2
MF:C12H12N2O
MW:200.236482620239
MDL:MFCD01993814
CID:1468064
PubChem ID:776527
Update Time:2025-04-20

3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxaldehyde, 3-(4-ethylphenyl)-
    • 3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
    • STK415418
    • AKOS000112287
    • MFCD01993814
    • Z275170960
    • Cambridge id 6131521
    • ALBB-001067
    • VS-07179
    • 3-(4-Ethylphenyl)-1H-pyrazole-4-carboxaldehyde
    • 5-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
    • CS-0206594
    • EN300-6502267
    • 350999-89-2
    • AKOS005144409
    • BBL022283
    • MDL： MFCD01993814
    • Inchi： 1S/C12H12N2O/c1-2-9-3-5-10(6-4-9)12-11(8-15)7-13-14-12/h3-8H,2H2,1H3,(H,13,14)
    • InChI Key： KCNFDRWUCRJSDB-UHFFFAOYSA-N
    • SMILES： O=CC1C=NNC=1C1C=CC(=CC=1)CC

Computed Properties

  • Exact Mass: 200.09506
  • Monoisotopic Mass: 200.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 212
  • 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: 2.1
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.75

3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde Pricemore >>

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abcr
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abcr
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