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

C19H20FN5O — CID 166594358

IUPAC2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)c(F)cc1NC1CC(c2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C19H20FN5O/c1-12-9-18(26)15(20)10-16(12)22-19-11-17(23-24-19)13-3-5-14(6-4-13)25-8-2-7-21-25/h2-10,17,19,22-24,26H,11H2,1H3
InChIKeySBQAGKOCNJUCGC-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.00
Rot. Bonds4

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

2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594358) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594358
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)c(F)cc1NC1CC(c2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C19H20FN5O/c1-12-9-18(26)15(20)10-16(12)22-19-11-17(23-24-19)13-3-5-14(6-4-13)25-8-2-7-21-25/h2-10,17,19,22-24,26H,11H2,1H3
InChIKeySBQAGKOCNJUCGC-UHFFFAOYSA-N
XLogP3.00
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-methyl-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

Related Compounds

4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 139391971
3-methyl-4-[[5-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-1H-pyrazol-3-yl]amino]phenol
CID 139392007
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)-3-fluorophenol
CID 166594308
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-((4-fluoro-5-(1H-indol-3-yl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594353
4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-2,5-difluorophenol
CID 166594365
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391735
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino-3-ethylphenol
CID 139391838
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (CID 166594358) is 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is Cc1cc(O)c(F)cc1NC1CC(c2ccc(-n3cccn3)cc2)NN1.
What is the InChIKey of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is SBQAGKOCNJUCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-9-18(26)15(20)10-16(12)22-19-11-17(23-24-19)13-3-5-14(6-4-13)25-8-2-7-21-25/h2-10,17,19,22-24,26H,11H2,1H3.
What are the key properties of 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 353.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).