3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde

C₈H₆N₂OSCAS 26033-27-2178.21 g/mol

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Properties

Molecular formula: C₈H₆N₂OS
Molar mass: 178.21 g/mol
Exact mass: 178.0201 Da
logP: 1.95Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

26033-27-2

SMILES

C1=CSC(=C1)C2=C(C=NN2)C=O

InChIKey

DDQIKYLVCQKLHT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2OS/c11-5-6-4-9-10-8(6)7-2-1-3-12-7/h1-5H,(H,9,10)

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Names and synonyms

1 names

3-(2-Thienyl)-1H-pyrazole-4-carbaldehyde

Work with 3-(Thiophen-2-yl)-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-carbaldehyde26033-20-557 % similar 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde306936-57-249 % similar 3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde350997-67-049 % similar 3-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde199682-73-045 % similar [2,2'-Bithiophene]-5-carboxaldehyde3779-27-943 % similar 3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-442 % similar 1H-Indazole-4-carboxaldehyde669050-70-841 % similar Thiophene-2-carboxaldehyde98-03-339 % similar

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

Same formula

2-Mercapto-4(3H)-quinazolinone13906-09-7 5-Phenyl-1,3,4-oxadiazole-2-thiol3004-42-0

Elsewhere

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