chempirical

1-Methyl-1H-pyrazole-4-carboxaldehyde

C5H6N2OCAS 25016-11-9110.12 g/mol

Open in Covalent MOL file
NON
Aldehyde

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
Boiling point
106–108 °C (at 20 Torr)
logP
0.23Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
25016-11-9
SMILES
Cn1cc(C=O)cn1
InChIKey
MYFZXSOYJVWTBL-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1H-Pyrazole-4-carboxaldehyde, 1-methyl-
  • Pyrazole-4-carboxaldehyde, 1-methyl-
  • 4-Formyl-1-methylpyrazole
  • 1-Methyl-4-pyrazolecarboxaldehyde
  • 1-Methyl-4-formylpyrazole
  • 1-Methyl-1H-pyrazole-4-carbaldehyde
  • 1-Methyl-1H-pyrazol-4-carboxaldehyde
  • 1-Methylpyrazole-4-carbaldehyde

Work with 1-Methyl-1H-pyrazole-4-carboxaldehyde

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 3-Hydroxypentanedinitrile13880-89-2 2-Amino-3-hydroxypyridine16867-03-1 3-Methoxypyridazine19064-65-4 3-Methyl-2(1H)-pyrazinone19838-07-4 4-Methoxypyridazine20733-11-3 1-(1H-Imidazol-1-yl)ethanone2466-76-4

Elsewhere

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