Monomers
1H-Pyrazole, 1-ethenyl-3-methyl-
Identifiers
IUPAC name
1-ethenyl-3-methylpyrazole
InchI
InChI=1S/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H3
InchI Key
HXPGEXSWCTYWSC-UHFFFAOYSA-N
SMILES
Cc1ccn(n1)C=C
Canonical SMILES
CC1=NN(C=C1)C=C
Isomeric SMILES
CC1=NN(C=C1)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8N2
Heavy Atom Count
8
Molecular Weight
108.144
Exact Molecular Weight
108.0687
Valence Electrons
42
Radical Electrons
0
tPSA
17.82
MolLogP
1.292
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
16 16 0 0 0 0 0 0 0 0999 V2000
2.8691 -0.3984 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4305 -0.0322 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8870 1.2049 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4799 0.9867 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7185 -0.3099 -0.2997 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4375 -0.9294 -0.1144 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0094 -0.9292 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0889 -0.2081 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9991 -1.3866 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5163 0.3331 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0931 -0.4394 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4623 2.0824 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2006 1.7746 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1070 -1.9645 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0130 0.8470 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0776 -0.6308 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 1 0
7 8 2 3
6 2 2 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
4 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers