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
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
-1.5005 -1.8637 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 -0.9053 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9791 -1.1798 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6144 -0.0108 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6512 0.9096 -0.2086 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5529 0.3972 -0.0746 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8036 1.0974 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8615 2.3760 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0849 0.2778 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1961 -2.7141 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 -1.3341 0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8462 -2.2839 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4543 -2.1290 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 0.5276 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8037 2.8685 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9600 2.9348 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2329 1.3254 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6122 -0.3836 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3746 0.0900 -1.1689 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