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

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)nicotinaldehyde885950-17-448 % similar 2-(4-Fluorophenyl)benzaldehyde192863-46-047 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-546 % similar 3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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