Monomers

3,5-Dimethyl-1-vinylpyrazole

Identifiers

IUPAC name
1-ethenyl-3,5-dimethylpyrazole
InchI
InChI=1S/C7H10N2/c1-4-9-7(3)5-6(2)8-9/h4-5H,1H2,2-3H3
InchI Key
PWHCXMAJNAYEOR-UHFFFAOYSA-N
SMILES
Cc1cc(nn1C=C)C
Canonical SMILES
CC1=CC(=NN1C=C)C
Isomeric SMILES
CC1=CC(=NN1C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10N2
Heavy Atom Count
9
Molecular Weight
122.171
Exact Molecular Weight
122.0844
Valence Electrons
48
Radical Electrons
0
tPSA
17.82
MolLogP
1.6004
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.5765   -1.6569   -0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4646   -0.8148   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8518   -1.2127   -0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564   -0.1622    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    0.8402    0.4396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426    0.4532    0.0546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868    1.2790    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6356    2.5097    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288   -0.1174    0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064   -2.4203   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3134   -1.0012   -1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1613   -2.1272   -0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738   -2.1825   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6244    0.8830   -0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245    3.1233    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6811    2.9401    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177   -1.1111    0.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734    0.6512    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5342    0.1266   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  4  9  1  0
  6  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers