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
-1.0378 -2.1649 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1679 -0.9627 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2046 -0.9161 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5418 0.3961 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4047 1.0818 0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6396 0.2820 0.0886 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 0.6633 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3486 1.9154 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9458 0.9425 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4835 -3.0942 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4658 -2.2849 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 -2.1041 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8951 -1.7304 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7549 -0.1226 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3824 2.1906 0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 2.6818 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4341 0.6593 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8726 2.0348 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4883 0.5324 -1.0148 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