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
1.0876 2.1103 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2069 1.0005 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1281 0.9946 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5120 -0.2816 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3980 -1.0236 0.3148 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.2921 -0.0921 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 -0.7880 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1858 -2.0623 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8639 -0.7599 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7256 3.0972 -0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1054 2.1796 -1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1274 1.9640 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7689 1.8680 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7403 -0.1560 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3948 -2.7485 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 -2.5232 -0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1034 -0.3525 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8727 -1.8496 0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6341 -0.3770 0.1808 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