4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol

C16H20N4O2 — CID 166594248

IUPAC4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol
SMILESCOc1cc(O)ccc1NC1CC(c2ccc(N)cc2)NN1
InChIInChI=1S/C16H20N4O2/c1-22-15-8-12(21)6-7-13(15)18-16-9-14(19-20-16)10-2-4-11(17)5-3-10/h2-8,14,16,18-21H,9,17H2,1H3
InChIKeySFDQKOBUPGOEAZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds4

About 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol

4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol (PubChem CID 166594248) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol.

Molecular Properties

Compound Name4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol
PubChem CID166594248
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol
SMILESCOc1cc(O)ccc1NC1CC(c2ccc(N)cc2)NN1
InChIInChI=1S/C16H20N4O2/c1-22-15-8-12(21)6-7-13(15)18-16-9-14(19-20-16)10-2-4-11(17)5-3-10/h2-8,14,16,18-21H,9,17H2,1H3
InChIKeySFDQKOBUPGOEAZ-UHFFFAOYSA-N
XLogP1.96
TPSA91.57 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol?
The IUPAC name of 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol (CID 166594248) is 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol.
What is the SMILES notation for 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol?
The canonical SMILES for 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol is COc1cc(O)ccc1NC1CC(c2ccc(N)cc2)NN1.
What is the InChIKey of 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol?
The InChIKey is SFDQKOBUPGOEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-15-8-12(21)6-7-13(15)18-16-9-14(19-20-16)10-2-4-11(17)5-3-10/h2-8,14,16,18-21H,9,17H2,1H3.
What are the key properties of 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol?
4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol has a molecular weight of 300.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-aminophenyl)pyrazolidin-3-yl]amino]-3-methoxyphenol is sourced from PubChem (CID 166594248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).