2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde

C12H10F3N3OS — CID 174756092

IUPAC2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde
SMILESC=Cc1csc(C(C=O)n2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C12H10F3N3OS/c1-3-8-6-20-11(16-8)9(5-19)18-7(2)4-10(17-18)12(13,14)15/h3-6,9H,1H2,2H3
InChIKeyIZJBWIOGDVJDPE-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.10
Rot. Bonds4

About 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde

2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde (PubChem CID 174756092) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde
PubChem CID174756092
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde
SMILESC=Cc1csc(C(C=O)n2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C12H10F3N3OS/c1-3-8-6-20-11(16-8)9(5-19)18-7(2)4-10(17-18)12(13,14)15/h3-6,9H,1H2,2H3
InChIKeyIZJBWIOGDVJDPE-UHFFFAOYSA-N
XLogP3.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19534633
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19576698
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
1-but-3-en-2-yl-3-(trifluoromethyl)pyrazole-5-carbaldehyde
CID 139675203
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534867
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19575651
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
ethyl 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 126964813
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-yl-2-(1,3-thiazol-2-yl)ethanone
CID 142795327
N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534882

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde?
The IUPAC name of 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde (CID 174756092) is 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde?
The canonical SMILES for 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde is C=Cc1csc(C(C=O)n2nc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde?
The InChIKey is IZJBWIOGDVJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-3-8-6-20-11(16-8)9(5-19)18-7(2)4-10(17-18)12(13,14)15/h3-6,9H,1H2,2H3.
What are the key properties of 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde?
2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde has a molecular weight of 301.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetaldehyde is sourced from PubChem (CID 174756092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).