1-(azetidin-3-yl)-4-iodopyrazol-5-amine

C6H9IN4 — CID 165484876

IUPAC1-(azetidin-3-yl)-4-iodopyrazol-5-amine
SMILESNc1c(I)cnn1C1CNC1
InChIInChI=1S/C6H9IN4/c7-5-3-10-11(6(5)8)4-1-9-2-4/h3-4,9H,1-2,8H2
InChIKeyPDZLCQNBBDTYCZ-UHFFFAOYSA-N
MW264.07 g/mol
LogP0.21
Rot. Bonds1

About 1-(azetidin-3-yl)-4-iodopyrazol-5-amine

1-(azetidin-3-yl)-4-iodopyrazol-5-amine (PubChem CID 165484876) has the molecular formula C6H9IN4 and a molecular weight of 264.07 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-iodopyrazol-5-amine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-iodopyrazol-5-amine
PubChem CID165484876
Molecular FormulaC6H9IN4
Molecular Weight264.07 g/mol
Exact Mass263.99
IUPAC Name1-(azetidin-3-yl)-4-iodopyrazol-5-amine
SMILESNc1c(I)cnn1C1CNC1
InChIInChI=1S/C6H9IN4/c7-5-3-10-11(6(5)8)4-1-9-2-4/h3-4,9H,1-2,8H2
InChIKeyPDZLCQNBBDTYCZ-UHFFFAOYSA-N
XLogP0.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-4-iodopyrazol-5-amine
CID 118075725
1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105437695
4-iodo-1-(2-methylthian-3-yl)pyrazol-5-amine
CID 79957158
1-cyclopropyl-5-fluoro-4-iodopyrazole
CID 167721010
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
CID 162313016
4-bromo-1-cyclopropylpyrazol-5-amine
CID 83382905
1-(4,4-dimethylthian-3-yl)-4-iodopyrazol-5-amine
CID 79948546
1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
CID 105437694
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474893
3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine
CID 105439047
1-(azetidin-3-yl)-5-propan-2-ylindazole
CID 164739214

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-iodopyrazol-5-amine?
The IUPAC name of 1-(azetidin-3-yl)-4-iodopyrazol-5-amine (CID 165484876) is 1-(azetidin-3-yl)-4-iodopyrazol-5-amine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-iodopyrazol-5-amine?
The canonical SMILES for 1-(azetidin-3-yl)-4-iodopyrazol-5-amine is Nc1c(I)cnn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-iodopyrazol-5-amine?
The InChIKey is PDZLCQNBBDTYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN4/c7-5-3-10-11(6(5)8)4-1-9-2-4/h3-4,9H,1-2,8H2.
What are the key properties of 1-(azetidin-3-yl)-4-iodopyrazol-5-amine?
1-(azetidin-3-yl)-4-iodopyrazol-5-amine has a molecular weight of 264.07 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-iodopyrazol-5-amine is sourced from PubChem (CID 165484876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).