1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acid - CAS 956824-00-3
Catalog: |
BB048843 |
Product Name: |
1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acid |
CAS: |
956824-00-3 |
Synonyms: |
1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid; [3,4'-Bi-1H-pyrazole]-4-carboxylic acid, 1'-ethyl-1-(4-fluorophenyl)-3'-methyl-; 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid |
IUPAC Name: | 3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid |
Description: | 1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acid (CAS# 956824-00-3 ) is a useful research chemical. |
Molecular Weight: | 314.31 |
Molecular Formula: | C16H15FN4O2 |
Canonical SMILES: | CCN1C=C(C(=N1)C)C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C16H15FN4O2/c1-3-20-8-13(10(2)18-20)15-14(16(22)23)9-21(19-15)12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,22,23) |
InChI Key: | JUYPSWYUJCLWSK-UHFFFAOYSA-N |
Boiling Point: | 472.0±45.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.1179039 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.1179039 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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