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

C8H6N2OSCAS 26033-27-2178.21 g/mol

Open in Covalent MOL file
SNHNO
Aldehyde

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

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)

Weigh it out

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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 2-Thiophen-2-yl-benzaldehyde99902-07-550 % 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

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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