5-(4-iodophenyl)pyrazolidin-3-amine

C9H12IN3 — CID 53408074

IUPAC5-(4-iodophenyl)pyrazolidin-3-amine
SMILESNC1CC(c2ccc(I)cc2)NN1
InChIInChI=1S/C9H12IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-4,8-9,12-13H,5,11H2
InChIKeyWYBUBGMJEKMYML-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.12
Rot. Bonds1

About 5-(4-iodophenyl)pyrazolidin-3-amine

5-(4-iodophenyl)pyrazolidin-3-amine (PubChem CID 53408074) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 5-(4-iodophenyl)pyrazolidin-3-amine.

Molecular Properties

Compound Name5-(4-iodophenyl)pyrazolidin-3-amine
PubChem CID53408074
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC Name5-(4-iodophenyl)pyrazolidin-3-amine
SMILESNC1CC(c2ccc(I)cc2)NN1
InChIInChI=1S/C9H12IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-4,8-9,12-13H,5,11H2
InChIKeyWYBUBGMJEKMYML-UHFFFAOYSA-N
XLogP1.12
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylphenyl)pyrazolidin-3-amine
CID 53406909
5-(4-bromo-3-fluorophenyl)pyrazolidin-3-amine
CID 76914089
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
2-(5-aminopyrazolidin-3-yl)-4-chlorophenol
CID 164643618
4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
CID 50989563
4-(aziridin-2-yl)aniline
CID 87528388
1-cyclobutyl-4-iodobenzene
CID 155973384
5-phenylpyrrolidin-3-amine
CID 83854505
3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine
CID 77099447
3-(4-iodophenyl)oxan-4-amine
CID 67310807
2-(4-iodophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 71428341
4-(5-methylpyrazolidin-3-yl)pyridine
CID 78180806

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)pyrazolidin-3-amine?
The IUPAC name of 5-(4-iodophenyl)pyrazolidin-3-amine (CID 53408074) is 5-(4-iodophenyl)pyrazolidin-3-amine.
What is the SMILES notation for 5-(4-iodophenyl)pyrazolidin-3-amine?
The canonical SMILES for 5-(4-iodophenyl)pyrazolidin-3-amine is NC1CC(c2ccc(I)cc2)NN1.
What is the InChIKey of 5-(4-iodophenyl)pyrazolidin-3-amine?
The InChIKey is WYBUBGMJEKMYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-4,8-9,12-13H,5,11H2.
What are the key properties of 5-(4-iodophenyl)pyrazolidin-3-amine?
5-(4-iodophenyl)pyrazolidin-3-amine has a molecular weight of 289.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)pyrazolidin-3-amine is sourced from PubChem (CID 53408074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).