chempirical

3-Methylpyrazole

C4H6N2CAS 1453-58-382.11 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C4H6N2
Molar mass
82.11 g/mol
Exact mass
82.0531 Da
Density
1.0206 g/mL (at 14 °C)
Melting point
36.5 °C
Boiling point
204 °C
logP
0.72Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1453-58-3
SMILES
Cc1cc[nH]n1
InChIKey
XKVUYEYANWFIJX-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrazole, 3-methyl-
  • Pyrazole, 3-methyl-
  • Pyrazole, 3(or 5)-methyl-
  • 3-Methyl-1H-pyrazole
  • 5-Methylpyrazole

Work with 3-Methylpyrazole

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

Pyrazol-5-ol137-45-142 % similar 3-Amino-6-methylpyridazine18591-82-741 % similar 2-Amino-4-methylpyrimidine108-52-139 % similar 3-Phenylpyrazole2458-26-637 % similar 2,6-Lutidine108-48-535 % similar 2,5-Dimethylpyridine589-93-535 % similar 2,4-Lutidine108-47-433 % similar 2,4,6-Trimethylpyridine108-75-833 % similar

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

Same formula

3-Amino-2-butenenitrile1118-61-2 1-Methylimidazole616-47-7 2-Methylimidazole693-98-1 4-Methylpyrazole7554-65-6 1H-Pyrrol-1-amine765-39-9 4-Methylimidazole822-36-6 1-Methyl-1H-pyrazole930-36-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook