SDF/Mol File of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide (C21H21FN4O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide Molecule

• Chemical structure of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide is available in chemical structure page of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide

  The molecular weight of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide is available in molecular weight page of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide

  The chemical formula of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide is given in chemical formula page of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide is:

  InChI=1S/C21H21FN4O/c1-14-12-15(4-9-18(14)22)19-13-20(25-24-19)21(27)23-16-5-7-17(8-6-16)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,27)(H,24,25)

  It can provide a standard way to encode the molecular information of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide 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 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide is:

  InChIKey=OPAPAHJZLRVIGF-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide

  The 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide including the registry numbers are listed below, if available:

  
  
  None available.

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3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide formula?
C21H21FN4O
How many atoms and what elements are included in the 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide molecule?
48 atom(s) - 21 Hydrogen atom(s), 21 Carbon atom(s), 4 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide structure?
51 bond(s) - 30 non-H bond(s), 18 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 17 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aromatic), 1 tertiary amine(s) (aromatic), 1 Pyrrolidine(s), and 1 Pyrazole(s)
What’s the 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide’s molar mass?
364.416043 g/mol
What’s the SMILES structure of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
Cc1cc(ccc1F)c2cc([nH]n2)C(=O)Nc3ccc(cc3)N4CCCC4
What’s the InChI code of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
InChI=1S/C21H21FN4O/c1-14-12-15(4-9-18(14)22)19-13-20(25-24-19)21(27)23-16-5-7-17(8-6-16)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,27)(H,24,25)
What’s the InChIKey format of 3-(4-fluoro-3-methylphenyl)-N-[4-(pyrrolidin-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
OPAPAHJZLRVIGF-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).