chempirical

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

C10H8N2OCAS 54605-72-0172.19 g/mol

Open in Covalent MOL file
NNO
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54605-72-0
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C=O
InChIKey
PHVRLPFVPVKYOI-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-8H

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Work with 1-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

1-Benzyl-1H-pyrazole-4-carbaldehyde63874-95-358 % similar 1-Ethyl-1H-pyrazole-4-carboxaldehyde304903-10-449 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-948 % similar 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-546 % similar Benzaldehyde100-52-745 % similar 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde27996-86-742 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-839 % similar 1-Phenylpyrazole1126-00-738 % 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 3-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-5 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-6 2-Hydroxy-3-phenylpyrazine2882-18-0

Elsewhere

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