3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde

C₁₀H₇ClN₂OCAS 350997-67-0206.63 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₀H₇ClN₂O
Molar mass: 206.63 g/mol
Exact mass: 206.0247 Da
logP: 2.54Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

350997-67-0

SMILES

C1=CC(=CC=C1C2=C(C=NN2)C=O)Cl

InChIKey

XSFZGZIGMMWQKR-UHFFFAOYSA-N

InChI

InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)

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Names and synonyms

1 names

3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde

Work with 3-(4-Chlorophenyl)-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

3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-568 % similar 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde306936-57-267 % similar 3-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde199682-73-062 % similar 3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde26033-27-249 % similar 3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-443 % similar 5-Chloropyridine-2-carboxaldehyde31181-89-243 % similar 1H-Indazole-4-carboxaldehyde669050-70-843 % similar 4-Chlorobenzaldehyde104-88-141 % similar

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

Elsewhere

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