2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol

C18H18FN5O — CID 166594311

IUPAC2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESOc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)cc1F
InChIInChI=1S/C18H18FN5O/c19-15-10-13(4-7-17(15)25)21-18-11-16(22-23-18)12-2-5-14(6-3-12)24-9-1-8-20-24/h1-10,16,18,21-23,25H,11H2
InChIKeySUESRBGHTWQFAL-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.69
Rot. Bonds4

About 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol

2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594311) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594311
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESOc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)cc1F
InChIInChI=1S/C18H18FN5O/c19-15-10-13(4-7-17(15)25)21-18-11-16(22-23-18)12-2-5-14(6-3-12)24-9-1-8-20-24/h1-10,16,18,21-23,25H,11H2
InChIKeySUESRBGHTWQFAL-UHFFFAOYSA-N
XLogP2.69
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (CID 166594311) is 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is Oc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)cc1F.
What is the InChIKey of 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is SUESRBGHTWQFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-10-13(4-7-17(15)25)21-18-11-16(22-23-18)12-2-5-14(6-3-12)24-9-1-8-20-24/h1-10,16,18,21-23,25H,11H2.
What are the key properties of 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 339.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).