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
   -0.7623   -2.1710    0.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015   -0.9174    0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -0.7253    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073    0.5392   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985    1.0589   -0.3908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711    0.1999   -0.1102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    0.3937   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    1.5279   -0.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    1.2166   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643   -2.0957    0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232   -2.4443    1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -3.0320    0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085   -1.4268    0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7671   -0.3929   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6111    1.6679   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    2.3591   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007    1.6399   -1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6565    0.5387   -0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979    2.0636    0.4132 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