chempirical

3,4-Dimethylpyrazole

C5H8N2CAS 2820-37-396.13 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
56 °C
Boiling point
106–107 °C (at 11 Torr)
logP
1.03Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2820-37-3
SMILES
Cc1c[nH]nc1C
InChIKey
VQTVFIMEENGCJA-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrazole, 3,4-dimethyl-
  • Pyrazole, 3,4-dimethyl-
  • Pyrazole, 3,4(or 4,5)-dimethyl-
  • 3,4-Dimethyl-1H-pyrazole
  • 4,5-Dimethylpyrazole

Work with 3,4-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

3,4-Dimethylpyrazole phosphate202842-98-667 % similar 4-Bromo-3-methyl-1H-pyrazole13808-64-552 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-442 % similar 3-Methylpyrazole-4-boronic acid pinacol ester936250-20-339 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-436 % similar B-(5-Methyl-1H-indazol-4-yl)boronic acid1245816-10-733 % similar 2,3,6-Trimethylpyridine1462-84-632 % similar 2,3-Lutidine583-61-932 % 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 3,5-Dimethylpyrazole67-51-6 1,5-Dimethylpyrazole694-31-5 1-Ethylimidazole7098-07-9 2,4-Dimethylimidazole930-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook