chempirical

1H-Pyrazole-4-carbaldehyde

C4H4N2OCAS 35344-95-796.09 g/mol

Open in Covalent MOL file
NHNO
Aldehyde

Properties

Molecular formula
C4H4N2O
Molar mass
96.09 g/mol
Exact mass
96.0324 Da
logP
0.22Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
35344-95-7
SMILES
C1=C(C=NN1)C=O
InChIKey
LRGBDJBDJXZTTD-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O/c7-3-4-1-5-6-2-4/h1-3H,(H,5,6)

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Names and synonyms

1 names
  • 1H-Pyrazole-4-carboxaldehyde

Work with 1H-Pyrazole-4-carbaldehyde

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

Pyrimidine-5-carboxaldehyde10070-92-542 % similar Pyrrole-3-carboxaldehyde7126-39-839 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-639 % similar 1,4-Benzenedicarboxaldehyde623-27-839 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-439 % similar 1H-Indazole-5-carboxaldehyde253801-04-638 % similar 2-Aminopyrimidine-5-carbaldehyde120747-84-438 % similar 2,2'-Bipyridyl-5,5'-dialdehyde135822-72-938 % similar

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

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Pyrimidin-5-ol26456-59-7 Imidazole-4-carboxaldehyde3034-50-2 1H-Pyrazole-3-carbaldehyde3920-50-1 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 Pyrimidone557-01-7

Elsewhere

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