1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carbaldehyde - CAS 1006483-41-5
Catalog: |
BB048642 |
Product Name: |
1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carbaldehyde |
CAS: |
1006483-41-5 |
Synonyms: |
1-ethyl-1-(4-fluorophenyl)-3-methyl-1H,1H-3,4-bipyrazole-4-carbaldehyde; [3,4'-Bi-1H-pyrazole]-4-carboxaldehyde, 1'-ethyl-1-(4-fluorophenyl)-3'-methyl-; 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde |
IUPAC Name: | 3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde |
Description: | 1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carbaldehyde (CAS# 1006483-41-5 ) is a useful research chemical. |
Molecular Weight: | 298.31 |
Molecular Formula: | C16H15FN4O |
Canonical SMILES: | CCN1C=C(C(=N1)C)C2=NN(C=C2C=O)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C16H15FN4O/c1-3-20-9-15(11(2)18-20)16-12(10-22)8-21(19-16)14-6-4-13(17)5-7-14/h4-10H,3H2,1-2H3 |
InChI Key: | HWQMPJKSHQEESL-UHFFFAOYSA-N |
Boiling Point: | 463.0±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.12298928 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.12298928 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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