chempirical

1,3-Dimethylpyrazole

C5H8N2CAS 694-48-496.13 g/mol

Open in Covalent MOL file
NN

Properties

Molecular formula
C5H8N2
Molar mass
96.13 g/mol
Exact mass
96.0687 Da
logP
0.73Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
694-48-4
SMILES
CC1=NN(C=C1)C
InChIKey
NODLZCJDRXTSJO-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 1H-Pyrazole, 1,3-dimethyl-

Work with 1,3-Dimethylpyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-552 % similar 1-Methyl-1H-pyrazol-3-amine1904-31-050 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-745 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole154471-65-545 % similar 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-041 % similar 1-Carbamoyl-3-methylpyrazole873-50-741 % similar 1-Methyl-1H-pyrazole-3-sulfonyl chloride89501-90-641 % similar 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1020174-04-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylimidazole1072-62-4 1,4-Dimethylpyrazole1072-68-0 1-Pyrrolidinecarbonitrile1530-88-7 1,2-Dimethylimidazole1739-84-0 1-Ethylpyrazole2817-71-2 3,4-Dimethylpyrazole2820-37-3 3,5-Dimethylpyrazole67-51-6 1,5-Dimethylpyrazole694-31-5

Elsewhere

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