chempirical

3,5-Dimethylpyrazole

C5H8N2CAS 67-51-696.13 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C5H8N2
Molar mass
96.13 g/mol
Exact mass
96.0687 Da
Melting point
107.5 °C
Boiling point
218 °C
logP
1.03Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
67-51-6
SMILES
Cc1cc(C)[nH]n1
InChIKey
SDXAWLJRERMRKF-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Pyrazole, 3,5-dimethyl-
  • Pyrazole, 3,5-dimethyl-
  • 3,5-Dimethyl-1H-pyrazole
  • U 6245
  • TH 564
  • 1H-3,5-Dimethylpyrazole
  • Trixene DP 8692
  • NSC 8729

Reactions

Work with 3,5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-5-(trifluoromethyl)pyrazole10010-93-246 % similar 3-Methyl-5-phenylpyrazole3347-62-445 % similar 3-Amino-6-methylpyridazine18591-82-744 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-943 % similar 2-Amino-4,6-dimethylpyrimidine767-15-741 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-036 % similar 3-Methylpyrazole1453-58-335 % similar 4,6-Dimethylpyrimidine1558-17-433 % 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 3,4-Dimethylpyrazole2820-37-3 1,5-Dimethylpyrazole694-31-5 1-Ethylimidazole7098-07-9 2,4-Dimethylimidazole930-62-1

Elsewhere

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