2-(5-aminopyrazolidin-3-yl)-4-chlorophenol

C9H12ClN3O — CID 164643618

IUPAC2-(5-aminopyrazolidin-3-yl)-4-chlorophenol
SMILESNC1CC(c2cc(Cl)ccc2O)NN1
InChIInChI=1S/C9H12ClN3O/c10-5-1-2-8(14)6(3-5)7-4-9(11)13-12-7/h1-3,7,9,12-14H,4,11H2
InChIKeyMIGKOBYYSZYFJV-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.87
Rot. Bonds1

About 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol

2-(5-aminopyrazolidin-3-yl)-4-chlorophenol (PubChem CID 164643618) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(5-aminopyrazolidin-3-yl)-4-chlorophenol
PubChem CID164643618
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-(5-aminopyrazolidin-3-yl)-4-chlorophenol
SMILESNC1CC(c2cc(Cl)ccc2O)NN1
InChIInChI=1S/C9H12ClN3O/c10-5-1-2-8(14)6(3-5)7-4-9(11)13-12-7/h1-3,7,9,12-14H,4,11H2
InChIKeyMIGKOBYYSZYFJV-UHFFFAOYSA-N
XLogP0.87
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol?
The IUPAC name of 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol (CID 164643618) is 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol.
What is the SMILES notation for 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol?
The canonical SMILES for 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol is NC1CC(c2cc(Cl)ccc2O)NN1.
What is the InChIKey of 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol?
The InChIKey is MIGKOBYYSZYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-5-1-2-8(14)6(3-5)7-4-9(11)13-12-7/h1-3,7,9,12-14H,4,11H2.
What are the key properties of 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol?
2-(5-aminopyrazolidin-3-yl)-4-chlorophenol has a molecular weight of 213.67 g/mol, XLogP of 0.87, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrazolidin-3-yl)-4-chlorophenol is sourced from PubChem (CID 164643618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).