3-Phenyl-1H-pyrazole-4-carbaldehyde

C10H8N2OCAS 26033-20-5172.19 g/mol

Open in Covalent MOL file
NHNO
Aldehyde

Properties

Molecular formula
C10H8N2O
Molar mass
172.19 g/mol
Exact mass
172.0637 Da
logP
1.89Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
26033-20-5
SMILES
C1=CC=C(C=C1)C2=C(C=NN2)C=O
InChIKey
OCCFXKQCKSLEII-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O/c13-7-9-6-11-12-10(9)8-4-2-1-3-5-8/h1-7H,(H,11,12)

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Work with 3-Phenyl-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-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde306936-57-268 % similar 3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde350997-67-068 % similar 3-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde199682-73-062 % similar 3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde26033-27-257 % similar 3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-447 % similar 1H-Indazole-4-carboxaldehyde669050-70-846 % similar [1,1′-Biphenyl]-2-carboxaldehyde1203-68-545 % similar Phthalaldehyde643-79-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Imidazol-1-yl)benzaldehyde10040-98-9 1H-Imidazol-1-ylphenylmethanone10364-94-0 2-(1H-Pyrazol-1-yl)benzaldehyde138479-47-7 6-Phenyl-3(2H)-pyridazinone2166-31-6 1-(2-Quinoxalinyl)ethanone25594-62-1 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-6 2-Hydroxy-3-phenylpyrazine2882-18-0 5-(Pyridin-2-yl)-2(1H)-pyridone381233-78-9

Elsewhere

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