chempirical

3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde

C10H7FN2OCAS 306936-57-2190.18 g/mol

Open in Covalent MOL file
NNHOF
AldehydeAryl halide

Properties

Molecular formula
C10H7FN2O
Molar mass
190.18 g/mol
Exact mass
190.0542 Da
logP
2.03Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
306936-57-2
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C=O)F
InChIKey
CMXTUUXWJBLVEH-UHFFFAOYSA-N
InChI
InChI=1S/C10H7FN2O/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-Fluorophenyl)-1H-pyrazole-4-carbaldehyde

Work with 3-(4-Fluorophenyl)-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

Similar compounds

3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-568 % similar 3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde350997-67-067 % similar 3-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde199682-73-062 % similar 3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde26033-27-249 % similar 2-(4-Fluorophenyl)benzaldehyde192863-46-047 % similar 3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-443 % similar 4-Fluorobenzaldehyde459-57-441 % similar 3-(4-Fluorophenyl)-1H-pyrazole154258-82-939 % similar

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

Elsewhere

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