3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde

C20H18FN3O2 — CID 155143537

IUPAC3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde
SMILESO=Cc1cc(-c2cnn(-c3cccc(N4CCCC4)c3)c2)cc(F)c1O
InChIInChI=1S/C20H18FN3O2/c21-19-9-14(8-15(13-25)20(19)26)16-11-22-24(12-16)18-5-3-4-17(10-18)23-6-1-2-7-23/h3-5,8-13,26H,1-2,6-7H2
InChIKeyHPHZDJJHXULBDQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.80
Rot. Bonds4

About 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde

3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde (PubChem CID 155143537) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde
PubChem CID155143537
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde
SMILESO=Cc1cc(-c2cnn(-c3cccc(N4CCCC4)c3)c2)cc(F)c1O
InChIInChI=1S/C20H18FN3O2/c21-19-9-14(8-15(13-25)20(19)26)16-11-22-24(12-16)18-5-3-4-17(10-18)23-6-1-2-7-23/h3-5,8-13,26H,1-2,6-7H2
InChIKeyHPHZDJJHXULBDQ-UHFFFAOYSA-N
XLogP3.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)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-[4-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)phenyl]pyrazol-4-yl]benzaldehyde
CID 155155027
2-[(E)-cyclopropyloxyiminomethyl]-6-fluoro-4-[1-(4-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenol
CID 155143614
3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde
CID 167254120
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)triazol-1-yl]benzaldehyde
CID 155143412
3-fluoro-2-hydroxy-5-[4-oxo-3-(3-pyrrolidin-1-ylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]benzaldehyde
CID 163230167
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde
CID 155143622
3-fluoro-2-hydroxy-5-[(2S,3S)-3-methyl-2-(3-pyrrolidin-1-ylphenyl)morpholine-4-carbonyl]benzaldehyde
CID 170688087
5-[(Z)-1-amino-2-(N-amino-4-pyrrolidin-1-ylanilino)ethenyl]-3-fluoro-2-hydroxybenzaldehyde
CID 155157452
3-[4-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404836
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
3-[4-(2-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404797

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde (CID 155143537) is 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde is O=Cc1cc(-c2cnn(-c3cccc(N4CCCC4)c3)c2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde?
The InChIKey is HPHZDJJHXULBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-19-9-14(8-15(13-25)20(19)26)16-11-22-24(12-16)18-5-3-4-17(10-18)23-6-1-2-7-23/h3-5,8-13,26H,1-2,6-7H2.
What are the key properties of 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde?
3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde has a molecular weight of 351.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde is sourced from PubChem (CID 155143537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).