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
   -0.6426    2.3046    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    0.9778    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    0.6973    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400   -0.6404   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.1342   -0.2488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -0.1772   -0.0199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137   -0.3789   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -1.5616   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304   -1.3414   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    3.1378    0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337    2.4072    0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6630    2.4865    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    1.4407    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8096    0.4372    0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6891   -1.7354   -0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -2.3835   -0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1187   -1.1641   -1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999   -2.4391   -0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -0.9335    0.3462 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