chempirical

3-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde

C11H10N2O2CAS 199682-73-0202.21 g/mol

Open in Covalent MOL file
ONHNO
AldehydeEther

Properties

Molecular formula
C11H10N2O2
Molar mass
202.21 g/mol
Exact mass
202.0742 Da
logP
1.90Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
199682-73-0
SMILES
COC1=CC=C(C=C1)C2=C(C=NN2)C=O
InChIKey
QSGGFCPKXTULQQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)11-9(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)

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Work with 3-(4-Methoxyphenyl)-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-Phenyl-1H-pyrazole-4-carbaldehyde26033-20-562 % similar 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde306936-57-262 % similar 3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde350997-67-062 % similar 4-Anisaldehyde123-11-546 % similar 3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde26033-27-245 % similar 2-Bromo-4-methoxybenzaldehyde43192-31-045 % similar 2,5-Dimethoxybenzaldehyde93-02-745 % similar 5-Methoxypicolinaldehyde22187-96-844 % similar

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

Same formula

2,3-Dimethylquinoxaline-6-carboxylic acid17635-26-6 5-(3-Methylphenoxy)-2(1H)-pyrimidinone41964-07-2 3-Hydroxy-2-naphthoic acid hydrazide5341-58-2

Elsewhere

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