Cas no 1017784-36-9 (1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester)

1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester structure
1017784-36-9 structure
Product Name:1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester
CAS No:1017784-36-9
MF:C11H9FN2O2
MW:220.199765920639
CID:97941
PubChem ID:57346181
Update Time:2025-04-18

1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylicacid, 3-(4-fluorophenyl)-, methyl ester
    • methyl 3-(4-fluorophenyl)pyrazolidine-4-carboxylate
    • METHYL 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
    • 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxylic acid methyl ester
    • A800452
    • METHYL3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
    • LH0013
    • FT-0697178
    • 1017784-36-9
    • Inchi: 1S/C11H9FN2O2/c1-16-11(15)9-6-13-14-10(9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
    • InChI Key: NWTXJKXDLBSRDG-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1=C(C(=O)OC)C=NN1

Computed Properties

  • Exact Mass: 220.064806g/mol
  • Monoisotopic Mass: 220.064806g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 254
  • 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
  • Molecular Weight: 220.2g/mol
  • XLogP3: 1.8
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 50.36000
  • LogP: 1.42140
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