SDF/Mol File of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine (C17H17N5)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine Molecule

• Chemical structure of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine is available in chemical structure page of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine

  The molecular weight of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine is available in molecular weight page of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine, 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 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine

  The chemical formula of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine is given in chemical formula page of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine, 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 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine is:

  InChI=1S/C17H17N5/c18-14-11-13(7-9-19-14)15-16(12-5-2-1-3-6-12)21-22-10-4-8-20-17(15)22/h1-3,5-7,9,11,20H,4,8,10H2,(H2,18,19)

  It can provide a standard way to encode the molecular information of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine 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-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine is:

  InChIKey=VKQDMOBGZXCSSF-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine, but it needs to be linked to the full InChI to get back to the original structure of the 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine

  The 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine including the registry numbers are listed below, if available:

  
  
  None available.

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4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine formula?
C17H17N5
How many atoms and what elements are included in the 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine molecule?
39 atom(s) - 17 Hydrogen atom(s), 17 Carbon atom(s), and 5 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine structure?
42 bond(s) - 25 non-H bond(s), 17 multiple bond(s), 2 rotatable bond(s), 17 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 primary amine(s) (aromatic), 1 secondary amine(s) (aromatic), 1 Pyrazole(s), and 1 Pyridine(s)
What’s the 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine’s molar mass?
291.35038 g/mol
What’s the SMILES structure of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine?
Nc1cc(ccn1)c3c2NCCCn2nc3c4ccccc4
What’s the InChI code of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine?
InChI=1S/C17H17N5/c18-14-11-13(7-9-19-14)15-16(12-5-2-1-3-6-12)21-22-10-4-8-20-17(15)22/h1-3,5-7,9,11,20H,4,8,10H2,(H2,18,19)
What’s the InChIKey format of 4-{2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-yl}pyridin-2-amine?
VKQDMOBGZXCSSF-UHFFFAOYSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).