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
   -0.9451    2.1340   -0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1678    0.9512   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1940    0.8750   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168   -0.3801    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474   -1.0400    0.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -0.2564    0.0039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -0.6313   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4147   -1.8410    0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795   -0.9073    0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813    2.1496   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5436    3.0511   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0092    2.0540   -0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    1.6481   -0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7746    0.0612   -0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782   -2.5621    0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4515   -2.1400    0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684   -0.8231   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200   -0.3573    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761   -1.9858    0.8930 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