Cas no 696646-74-9 (3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carbaldehyde)

3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carbaldehyde structure
696646-74-9 structure
Product Name:3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carbaldehyde
CAS No:696646-74-9
MF:C13H14N2O
MW:214.263062953949
MDL:MFCD03834509
CID:1738629
PubChem ID:4138569
Update Time:2025-04-21

3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxaldehyde, 3-[4-(1-methylethyl)phenyl]-
    • 3-(4-Isopropylphenyl)-1H-pyrazole-4-carbaldehyde
    • 5-(4-ISOPROPYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
    • 3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carbaldehyde
    • AKOS000112288
    • SR-01000103740-1
    • MFCD03834509
    • 696646-74-9
    • LS-02800
    • SR-01000103740
    • BBL022284
    • 5-(4-propan-2-ylphenyl)-1H-pyrazole-4-carbaldehyde
    • CS-0374150
    • Z362114518
    • EN300-6503340
    • ALBB-007495
    • AKOS005144401
    • STK501702
    • DB-365524
    • G45103
    • MDL： MFCD03834509
    • Inchi： 1S/C13H14N2O/c1-9(2)10-3-5-11(6-4-10)13-12(8-16)7-14-15-13/h3-9H,1-2H3,(H,14,15)
    • InChI Key： UPGZHZKLNLXQBW-UHFFFAOYSA-N
    • SMILES： O=CC1C=NNC=1C1C=CC(=CC=1)C(C)C

Computed Properties

  • Exact Mass: 214.11072
  • Monoisotopic Mass: 214.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 234
  • 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: 2.5
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.75

3-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carbaldehyde Pricemore >>

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AB384114-500 mg
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AB384114-1 g
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AB384114-5 g
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