1H-Pyrazole-3-carbaldehyde

C₄H₄N₂OCAS 3920-50-196.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄N₂O
Molar mass: 96.09 g/mol
Exact mass: 96.0324 Da
logP: 0.22Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

3920-50-1

SMILES

C1=C(NN=C1)C=O

InChIKey

ICFGFAUMBISMLR-UHFFFAOYSA-N

InChI

InChI=1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)

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

Names and synonyms

1 names

2H-Pyrazole-3-carbaldehyde

Work with 1H-Pyrazole-3-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

Pyrrole-2-carboxaldehyde1003-29-839 % similar 1H-Indazole-4-carboxaldehyde669050-70-838 % similar 1H-Pyrrolo(2,3-b)pyridine-2-carbaldehyde394223-03-137 % similar 3-Chloro-1H-pyrazole14339-33-437 % similar 3-Bromo-1H-pyrazole14521-80-337 % similar 3-Iodo-1H-pyrazole4522-35-437 % similar Pyridine-4-carbaldehyde872-85-537 % similar 4-Chloro-3(2H)-pyridazinone1677-79-835 % 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-4-carbaldehyde35344-95-7 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 Pyrimidone557-01-7

Elsewhere

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