SDF/Mol File of 3,5-Dimethylpyrazole (C5H8N2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 3,5-Dimethylpyrazole Molecule

• Chemical structure of 3,5-Dimethylpyrazole

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3,5-Dimethylpyrazole is available in chemical structure page of 3,5-Dimethylpyrazole, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 3,5-Dimethylpyrazole

  The molecular weight of 3,5-Dimethylpyrazole is available in molecular weight page of 3,5-Dimethylpyrazole, 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 3,5-Dimethylpyrazole

  The chemical formula of 3,5-Dimethylpyrazole is given in chemical formula page of 3,5-Dimethylpyrazole, 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 3,5-Dimethylpyrazole

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3,5-Dimethylpyrazole is:

  InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)

  It can provide a standard way to encode the molecular information of 3,5-Dimethylpyrazole 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 3,5-Dimethylpyrazole is:

  InChIKey=SDXAWLJRERMRKF-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 3,5-Dimethylpyrazole, but it needs to be linked to the full InChI to get back to the original structure of the 3,5-Dimethylpyrazole since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 3,5-Dimethylpyrazole

  The 3,5-Dimethylpyrazole compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3,5-Dimethylpyrazole including the registry numbers are listed below, if available:

  • T7100941
  • EN300-16235
  • BBV-42302204
  • AR-1E9727
  • 3,5-Dimethylpyrazole, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (GC)
  • 1(H)-3,5-Dimethylpyrazole;1H-Pyrazole,3,5-dimethyl-;3,5-dimethyl-1h-pyrazol
  • A1209/0055695
  • F1982-0002
  • Z50145988
  • W-104711

  • I14-0406
  • AE-848/32586026
  • AB00374449-03
  • M-5993
  • A22892
  • L455
  • RTR-037460
  • ANW-35362
  • H21N865K9J
  • QSPL 007

  • 3,5-Dimethylpyrazole, 99%
  • 1(H)-3,5-Dimethylpyrazole
  • 3,5-dimethyl-1H-pyrazol
  • 1H-Pyrazole,5-dimethyl-
  • 3,5-Dimethyl-Pyrazole
  • 3,5-dimethyl pyrazole
  • Pyrazole,5-dimethyl-
  • MFCD00005243
  • 3,5-Dwumetylopirazolu [Polish]
  • U 6245

  • 3,5-Dwumetylopirazolu
  • TH 564
  • PYRAZOLE, 3,5-DIMETHYL-
  • 3,5 DMP
  • 1H-Pyrazole, 3,5-dimethyl-
  • 67-51-6
  • 3,5-Dimethylpyrazole

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3,5-Dimethylpyrazole Identification Summary Frequently Asked Questions (FAQs)

What’s the 3,5-Dimethylpyrazole formula?
C5H8N2
How many atoms and what elements are included in the 3,5-Dimethylpyrazole molecule?
15 atom(s) - 8 Hydrogen atom(s), 5 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the 3,5-Dimethylpyrazole structure?
15 bond(s) - 7 non-H bond(s), 5 multiple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), and 1 Pyrazole(s)
What’s the 3,5-Dimethylpyrazole’s molar mass?
96.13042 g/mol
What’s the SMILES structure of 3,5-Dimethylpyrazole?
Cc1cc(C)[nH]n1
What’s the InChI code of 3,5-Dimethylpyrazole?
InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
What’s the InChIKey format of 3,5-Dimethylpyrazole?
SDXAWLJRERMRKF-UHFFFAOYSA-N

183 The contents of this page can freely be shared if cited as follows:
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).