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

C18H17F2N5O — CID 166594365

IUPAC2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESOc1cc(F)c(NC2CC(c3ccc(-n4cccn4)cc3)NN2)cc1F
InChIInChI=1S/C18H17F2N5O/c19-13-9-17(26)14(20)8-16(13)22-18-10-15(23-24-18)11-2-4-12(5-3-11)25-7-1-6-21-25/h1-9,15,18,22-24,26H,10H2
InChIKeyJLEAPMWHTWUXFW-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.83
Rot. Bonds4

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

2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594365) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594365
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESOc1cc(F)c(NC2CC(c3ccc(-n4cccn4)cc3)NN2)cc1F
InChIInChI=1S/C18H17F2N5O/c19-13-9-17(26)14(20)8-16(13)22-18-10-15(23-24-18)11-2-4-12(5-3-11)25-7-1-6-21-25/h1-9,15,18,22-24,26H,10H2
InChIKeyJLEAPMWHTWUXFW-UHFFFAOYSA-N
XLogP2.83
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (CID 166594365) is 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is Oc1cc(F)c(NC2CC(c3ccc(-n4cccn4)cc3)NN2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is JLEAPMWHTWUXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-13-9-17(26)14(20)8-16(13)22-18-10-15(23-24-18)11-2-4-12(5-3-11)25-7-1-6-21-25/h1-9,15,18,22-24,26H,10H2.
What are the key properties of 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 357.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).