3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde

C19H16FN3O3S — CID 155155027

IUPAC3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde
SMILESO=Cc1cc(-c2cnn(-c3ccc(S4(=O)=NCCC4)cc3)c2)cc(F)c1O
InChIInChI=1S/C19H16FN3O3S/c20-18-9-13(8-14(12-24)19(18)25)15-10-21-23(11-15)16-2-4-17(5-3-16)27(26)7-1-6-22-27/h2-5,8-12,25H,1,6-7H2
InChIKeyGWOZUOGWTKYPAJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.43
Rot. Bonds4

About 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde

3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde (PubChem CID 155155027) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde
PubChem CID155155027
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde
SMILESO=Cc1cc(-c2cnn(-c3ccc(S4(=O)=NCCC4)cc3)c2)cc(F)c1O
InChIInChI=1S/C19H16FN3O3S/c20-18-9-13(8-14(12-24)19(18)25)15-10-21-23(11-15)16-2-4-17(5-3-16)27(26)7-1-6-22-27/h2-5,8-12,25H,1,6-7H2
InChIKeyGWOZUOGWTKYPAJ-UHFFFAOYSA-N
XLogP3.43
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde
CID 155143537
2-[(E)-cyclopropyloxyiminomethyl]-6-fluoro-4-[1-(4-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenol
CID 155143614
2-[(4-cyclopropylpiperazin-1-yl)iminomethyl]-6-fluoro-4-[1-(4-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenol
CID 155143378
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde
CID 155143622
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)triazol-1-yl]benzaldehyde
CID 155143412
5-(4-bromo-1,3-thiazol-2-yl)-3-fluoro-2-hydroxybenzaldehyde
CID 155143447
5-[1-[3-(3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl)phenyl]triazol-4-yl]-3-fluoro-2-hydroxybenzaldehyde
CID 155143472
2-hydroxy-5-(1-methylpyrazol-4-yl)-3-nitrobenzaldehyde
CID 59599812
5-[(Z)-1-amino-2-(N-amino-4-pyrrolidin-1-ylanilino)ethenyl]-3-fluoro-2-hydroxybenzaldehyde
CID 155157452
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde (CID 155155027) is 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde is O=Cc1cc(-c2cnn(-c3ccc(S4(=O)=NCCC4)cc3)c2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde?
The InChIKey is GWOZUOGWTKYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-18-9-13(8-14(12-24)19(18)25)15-10-21-23(11-15)16-2-4-17(5-3-16)27(26)7-1-6-22-27/h2-5,8-12,25H,1,6-7H2.
What are the key properties of 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde?
3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde has a molecular weight of 385.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-[1-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde is sourced from PubChem (CID 155155027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).