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

C10H8N2OCAS 138479-47-7172.19 g/mol

Open in Covalent MOL file
ONN
Aldehyde

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

4-Pyrazol-1-yl-benzaldehyde99662-34-753 % similar 2-(1H-Pyrazol-1-yl)benzoic acid55317-53-848 % similar 1-Phenylpyrazole1126-00-745 % similar Phthalaldehyde643-79-845 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-541 % similar 2-(4-Pyridinyl)benzaldehyde176526-00-439 % similar 2-Bromobenzaldehyde6630-33-738 % similar 2-Iodobenzaldehyde26260-02-637 % 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 3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-5 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

PubChem CAS Common Chemistry NIST WebBook