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

C20H23N5O — CID 166594275

IUPAC3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1NC1CC(c2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C20H23N5O/c1-2-14-12-17(26)8-9-18(14)22-20-13-19(23-24-20)15-4-6-16(7-5-15)25-11-3-10-21-25/h3-12,19-20,22-24,26H,2,13H2,1H3
InChIKeyXBYPQIWKUGKROR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.12
Rot. Bonds5

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

3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594275) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594275
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESCCc1cc(O)ccc1NC1CC(c2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C20H23N5O/c1-2-14-12-17(26)8-9-18(14)22-20-13-19(23-24-20)15-4-6-16(7-5-15)25-11-3-10-21-25/h3-12,19-20,22-24,26H,2,13H2,1H3
InChIKeyXBYPQIWKUGKROR-UHFFFAOYSA-N
XLogP3.12
TPSA74.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.12
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-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 139391971
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-((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-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-(1H-indol-3-yl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 166594277
4-((5-(1H-indol-3-yl)-1H-pyrazol-3-yl)amino)-3-ethylphenol
CID 166594278
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 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol (CID 166594275) is 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is CCc1cc(O)ccc1NC1CC(c2ccc(-n3cccn3)cc2)NN1.
What is the InChIKey of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is XBYPQIWKUGKROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-14-12-17(26)8-9-18(14)22-20-13-19(23-24-20)15-4-6-16(7-5-15)25-11-3-10-21-25/h3-12,19-20,22-24,26H,2,13H2,1H3.
What are the key properties of 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol?
3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 349.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).