2-(4-iodopyrazol-1-yl)pentan-1-amine

C8H14IN3 — CID 83045511

IUPAC2-(4-iodopyrazol-1-yl)pentan-1-amine
SMILESCCCC(CN)n1cc(I)cn1
InChIInChI=1S/C8H14IN3/c1-2-3-8(4-10)12-6-7(9)5-11-12/h5-6,8H,2-4,10H2,1H3
InChIKeyNUEZJSYAYZZOGY-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-iodopyrazol-1-yl)pentan-1-amine

2-(4-iodopyrazol-1-yl)pentan-1-amine (PubChem CID 83045511) has the molecular formula C8H14IN3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)pentan-1-amine
PubChem CID83045511
Molecular FormulaC8H14IN3
Molecular Weight279.12 g/mol
Exact Mass279.02
IUPAC Name2-(4-iodopyrazol-1-yl)pentan-1-amine
SMILESCCCC(CN)n1cc(I)cn1
InChIInChI=1S/C8H14IN3/c1-2-3-8(4-10)12-6-7(9)5-11-12/h5-6,8H,2-4,10H2,1H3
InChIKeyNUEZJSYAYZZOGY-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)pentan-1-amine?
The IUPAC name of 2-(4-iodopyrazol-1-yl)pentan-1-amine (CID 83045511) is 2-(4-iodopyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)pentan-1-amine?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)pentan-1-amine is CCCC(CN)n1cc(I)cn1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)pentan-1-amine?
The InChIKey is NUEZJSYAYZZOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN3/c1-2-3-8(4-10)12-6-7(9)5-11-12/h5-6,8H,2-4,10H2,1H3.
What are the key properties of 2-(4-iodopyrazol-1-yl)pentan-1-amine?
2-(4-iodopyrazol-1-yl)pentan-1-amine has a molecular weight of 279.12 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 83045511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).