2-(1H-Pyrazol-1-yl)benzaldehyde

C₁₀H₈N₂OCAS 138479-47-7172.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈N₂O
Molar mass: 172.19 g/mol
Exact mass: 172.0637 Da
logP: 1.68Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

138479-47-7

SMILES

C1=CC=C(C(=C1)C=O)N2C=CC=N2

InChIKey

KIGZYDJKBTYFBZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H

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Names and synonyms

1 names

2-Pyrazol-1-yl-benzaldehyde

Work with 2-(1H-Pyrazol-1-yl)benzaldehyde

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

1-Phenylpyrazole1126-00-745 % similar 2-(4-Pyridinyl)benzaldehyde176526-00-439 % similar 2-Bromobenzaldehyde6630-33-738 % similar 2-Iodobenzaldehyde26260-02-637 % similar 2-Fluorobenzaldehyde446-52-637 % similar 2-Chlorobenzaldehyde89-98-537 % similar Salicylaldehyde90-02-837 % similar 2-Bromonicotinaldehyde128071-75-037 % 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 6-Phenyl-3(2H)-pyridazinone2166-31-6 1-(2-Quinoxalinyl)ethanone25594-62-1 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-6

Elsewhere

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