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
-1.5110 1.4011 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3513 0.5831 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9937 0.9939 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7572 -0.0115 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9200 -0.9596 -0.6074 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -0.6313 -0.3321 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4476 -1.5049 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6122 -1.4845 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2507 0.0390 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8403 1.0646 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3609 1.3536 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 2.4775 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2862 1.9398 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 -2.2713 -1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 -0.7745 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3746 -2.2308 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -0.8619 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5840 -0.0316 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6561 0.9091 0.1582 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