chempirical

1-Benzyl-1H-pyrazole-4-carbaldehyde

C11H10N2OCAS 63874-95-3186.21 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C11H10N2O
Molar mass
186.21 g/mol
Exact mass
186.0793 Da
logP
1.74Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
63874-95-3
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)C=O
InChIKey
WOXHPHOZJMLUFE-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O/c14-9-11-6-12-13(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2

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Work with 1-Benzyl-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-Phenyl-1H-pyrazole-4-carbaldehyde54605-72-058 % similar 1-Ethyl-1H-pyrazole-4-carboxaldehyde304903-10-457 % similar 4-Iodo-1-(phenylmethyl)-1H-pyrazole50877-42-454 % similar 1-Benzyl-1H-pyrazole-4-boronic acid852362-22-250 % similar 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-45-147 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-944 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-042 % similar Benzaldehyde100-52-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-2 6-Methoxy-1H-indole-3-acetonitrile23084-35-7 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-1 6'-Methoxy-2,3'-bipyridyl381725-49-1 2-Naphthoic acid hydrazide39627-84-4 1-Naphthoic hydrazide43038-45-5 3-Acetyl-2-methyl-1,6-naphthyridine52816-65-6 1-Benzyl-1H-imidazole-5-carboxaldehyde85102-99-4

Elsewhere

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