Cas no 1003577-72-7 (1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid)

1-Phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid is a pyrazole-based carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a phenyl substituent at the 1-position and an isopropyl group at the 3-position, contributing to its unique steric and electronic properties. The carboxylic acid functionality enhances its utility as a versatile intermediate for further derivatization, including amide or ester formation. This compound may serve as a key building block in the synthesis of biologically active molecules, owing to its rigid heterocyclic core and modifiable carboxyl group. Its stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for exploratory chemistry.
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid structure
1003577-72-7 structure
Product Name:1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS No:1003577-72-7
MF:C13H14N2O2
MW:230.262463092804
CID:4558688
Update Time:2025-10-31

1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
    • 1-phenyl-3-propan-2-ylpyrazole-4-carboxylic acid
    • Inchi: 1S/C13H14N2O2/c1-9(2)12-11(13(16)17)8-15(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
    • InChI Key: AVKAZVYDPUIIAC-UHFFFAOYSA-N
    • SMILES: OC(C1=CN(C2C=CC=CC=2)N=C1C(C)C)=O

Computed Properties

  • Exact Mass: 230.105528g/mol
  • Monoisotopic Mass: 230.105528g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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: 230.26g/mol
  • XLogP3: 2.6
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 386.8±30.0 °C at 760 mmHg
  • Flash Point: 187.7±24.6 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B522440-10mg
1-Phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic Acid
1003577-72-7
10mg
$ 50.00 2022-06-07
TRC
B522440-50mg
1-Phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic Acid
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50mg
$ 185.00 2022-06-07
TRC
B522440-100mg
1-Phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic Acid
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100mg
$ 275.00 2022-06-07
Enamine
EN300-50456-0.05g
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1003577-72-7 95.0%
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$155.0 2025-02-20
Enamine
EN300-50456-0.1g
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1003577-72-7 95.0%
0.1g
$232.0 2025-02-20
Enamine
EN300-50456-0.25g
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1003577-72-7 95.0%
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$331.0 2025-02-20
Enamine
EN300-50456-0.5g
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1003577-72-7 95.0%
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$524.0 2025-02-20
Enamine
EN300-50456-1.0g
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1003577-72-7 95.0%
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$671.0 2025-02-20
Enamine
EN300-50456-2.5g
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
1003577-72-7 95.0%
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$1315.0 2025-02-20
Enamine
EN300-50456-5.0g
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1003577-72-7 95.0%
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$1945.0 2025-02-20
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