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
   -1.4024   -2.0347   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3872   -0.9535   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9705   -1.1102    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    0.1191    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651    1.0167    0.0538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888    0.3831   -0.0527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404    1.0500   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370    2.3543   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    0.4215    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827   -1.7167    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882   -2.9448    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6074   -2.2523   -1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996   -2.0533    0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    0.4543   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    2.9465   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8947    2.8179   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2052    1.4336    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4947   -0.2787    1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620    0.3471   -0.7084 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