Home Chemical Formula 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine

Chemical Formula of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine (C20H27FN4O2)

Identification of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine Chemical Compound

2D chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
Chemical Formula C20H27FN4O2
Molecular Weight 374.452383 g/mol
IUPAC Name 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
SMILES String COCCN1C(C)CN(CC1C)C(=O)c3cc(c2ccc(F)cc2)n(C)n3
InChI InChI=1S/C20H27FN4O2/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)18-11-19(23(3)22-18)16-5-7-17(21)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3
InChIKey WSFVOGWTPNFFOO-UHFFFAOYSA-N

Chemical Formula Description

The 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine molecule contains a total of 54 atom(s). There are 27 Hydrogen atom(s), 20 Carbon atom(s), 4 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Fluorine atom(s). A chemical formula of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine can therefore be written as:

C20H27FN4O2

The chemical formula of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
Ball-and-stick model of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine

Additional Information for Identifying 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine Molecule


  • InChI (IUPAC International Chemical Identifier) information of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine is:

    InChI=1S/C20H27FN4O2/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)18-11-19(23(3)22-18)16-5-7-17(21)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3

    It can provide a standard way to encode the molecular information of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine is:

    InChIKey=WSFVOGWTPNFFOO-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine, but it needs to be linked to the full InChI to get back to the original structure of the 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine

    The 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine including the registry numbers is given below, if available:



    None available.


4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?

    C20H27FN4O2
  • How many atoms and what are they in the 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine structure?

    54 atom(s) – 27 Hydrogen atom(s), 20 Carbon atom(s), 4 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Fluorine atom(s)
  • How many chemical bonds and what are they in the 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine structure?

    56 bond(s) – 29 non-H bond(s), 12 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 tertiary amide(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic) and 1 Pyrazole(s)
  • What’s the molecular weight of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?

    374.452383 g/mol
  • What’s the SMILES string of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?

    COCCN1C(C)CN(CC1C)C(=O)c3cc(c2ccc(F)cc2)n(C)n3
  • What’s the InChI of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?

    InChI=1S/C20H27FN4O2/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)18-11-19(23(3)22-18)16-5-7-17(21)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3
  • What’s the InChIKey of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?

    WSFVOGWTPNFFOO-UHFFFAOYSA-N

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