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
   -1.5926   -1.8826   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -0.9002   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563   -1.2229   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803   -0.0535    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748    0.9361    0.1086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5428    0.4425    0.0417 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7403    1.2060    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6976    2.5181    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    0.1053    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257   -2.7808   -0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4512   -1.4803   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0053   -2.1606    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215   -2.1927   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024    0.7192    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950    3.1053    0.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630    3.0561    0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834   -0.6362   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3019    1.1498   -0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113    0.0714    1.1068 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