1,5-Dimethylpyrazole
Properties
- Molecular formula
- C5H8N2
- Molar mass
- 96.13 g/mol
- Exact mass
- 96.0687 Da
- Density
- 0.9852 g/mL (at 20 °C)
- Boiling point
- 145–155 °C
- logP
- 0.73Crippen estimate
- Polar surface area
- 17.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Identifiers
CAS number
694-31-5SMILES
Cc1ccnn1CInChIKey
LSZQMSSIUQNTDX-UHFFFAOYSA-NInChI
InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1H-Pyrazole, 1,5-dimethyl-
- Pyrazole, 1,5-dimethyl-
- 1,5-Dimethyl-1H-pyrazole
Work with 1,5-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
1-Methyl-1H-pyrazol-5-amine1192-21-850 % similar
1-Methyl-1H-pyrazol-5-ol33641-15-550 % similar
1-Methyl-1H-pyrazole-5-carboxaldehyde27258-33-945 % similar
1-Methyl-1H-pyrazole-5-methanol84547-61-545 % similar
1,3,5-Trimethylpyrazole1072-91-939 % similar
1,2,5-Trimethyl-1H-pyrrole930-87-038 % similar
(1-Methyl-1H-pyrazol-4-yl)boronic acid847818-55-731 % similar
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-231 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds