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

C18H18FN5O — CID 166594308

IUPAC3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESOc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(F)c1
InChIInChI=1S/C18H18FN5O/c19-15-10-14(25)6-7-16(15)21-18-11-17(22-23-18)12-2-4-13(5-3-12)24-9-1-8-20-24/h1-10,17-18,21-23,25H,11H2
InChIKeyATVXDCHMUWOUTB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.69
Rot. Bonds4

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

3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594308) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594308
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESOc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(F)c1
InChIInChI=1S/C18H18FN5O/c19-15-10-14(25)6-7-16(15)21-18-11-17(22-23-18)12-2-4-13(5-3-12)24-9-1-8-20-24/h1-10,17-18,21-23,25H,11H2
InChIKeyATVXDCHMUWOUTB-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'}

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Related Compounds

4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-(trifluoromethyl)phenol
CID 166594307
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluorophenol
CID 166594311
4-((5-(4-(4-fluoro-1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594351
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 166594358
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2,5-difluorophenol
CID 166594365
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-ethylphenol
CID 166594275
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-chlorophenol
CID 166594312
4-((5-(6-(1H-pyrazol-1-yl)pyridin-3-yl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594333
4-((5-(3-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594343
3-methyl-4-((5-(3-(1-methyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)phenol
CID 166594356
3-methyl-4-((5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)phenol
CID 166594360
4-[(5R)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 136202971

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (CID 166594308) is 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is Oc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is ATVXDCHMUWOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-10-14(25)6-7-16(15)21-18-11-17(22-23-18)12-2-4-13(5-3-12)24-9-1-8-20-24/h1-10,17-18,21-23,25H,11H2.
What are the key properties of 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
3-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 3-fluoro-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).