3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol

C21H22N4O — CID 166594349

IUPAC3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)ccc1NC1CC(c2cccc(-c3cccnc3)c2)NN1
InChIInChI=1S/C21H22N4O/c1-14-10-18(26)7-8-19(14)23-21-12-20(24-25-21)16-5-2-4-15(11-16)17-6-3-9-22-13-17/h2-11,13,20-21,23-26H,12H2,1H3
InChIKeyZYSAHLHWDICSIS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.74
Rot. Bonds4

About 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol

3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol (PubChem CID 166594349) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol
PubChem CID166594349
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol
SMILESCc1cc(O)ccc1NC1CC(c2cccc(-c3cccnc3)c2)NN1
InChIInChI=1S/C21H22N4O/c1-14-10-18(26)7-8-19(14)23-21-12-20(24-25-21)16-5-2-4-15(11-16)17-6-3-9-22-13-17/h2-11,13,20-21,23-26H,12H2,1H3
InChIKeyZYSAHLHWDICSIS-UHFFFAOYSA-N
XLogP3.74
TPSA69.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The IUPAC name of 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol (CID 166594349) is 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The canonical SMILES for 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol is Cc1cc(O)ccc1NC1CC(c2cccc(-c3cccnc3)c2)NN1.
What is the InChIKey of 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol?
The InChIKey is ZYSAHLHWDICSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-10-18(26)7-8-19(14)23-21-12-20(24-25-21)16-5-2-4-15(11-16)17-6-3-9-22-13-17/h2-11,13,20-21,23-26H,12H2,1H3.
What are the key properties of 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol?
3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol has a molecular weight of 346.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-(3-pyridin-3-ylphenyl)pyrazolidin-3-yl]amino]phenol is sourced from PubChem (CID 166594349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).