chempirical

1,4-Dimethylpyrazole

C5H8N2CAS 1072-68-096.13 g/mol

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Properties

Molecular formula
C5H8N2
Molar mass
96.13 g/mol
Exact mass
96.0687 Da
Density
0.9608 g/mL (at 18 °C)
Boiling point
148–150 °C (at 20 Torr)
logP
0.73Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1072-68-0
SMILES
Cc1cnn(C)c1
InChIKey
SZQCPPRPWDXLMM-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3

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Names and synonyms

3 names
  • 1H-Pyrazole, 1,4-dimethyl-
  • Pyrazole, 1,4-dimethyl-
  • 1,4-Dimethyl-1H-pyrazole

Work with 1,4-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

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-850 % similar 4-Bromo-1-methyl-1H-pyrazole15803-02-850 % similar (1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-750 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-946 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-042 % similar 1-Methyl-4-nitro-1H-pyrazole3994-50-141 % similar 5-Methylpyrimidine2036-41-132 % similar 3,5-Lutidine591-22-032 % similar

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

Same formula

2-Ethylimidazole1072-62-4 1-Pyrrolidinecarbonitrile1530-88-7 1,2-Dimethylimidazole1739-84-0 3,4-Dimethylpyrazole2820-37-3 3,5-Dimethylpyrazole67-51-6 1,5-Dimethylpyrazole694-31-5 1-Ethylimidazole7098-07-9 2,4-Dimethylimidazole930-62-1

Elsewhere

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