1-ethyl-5-iodopyrazol-3-amine

C5H8IN3 — CID 154881729

IUPAC1-ethyl-5-iodopyrazol-3-amine
SMILESCCn1nc(N)cc1I
InChIInChI=1S/C5H8IN3/c1-2-9-4(6)3-5(7)8-9/h3H,2H2,1H3,(H2,7,8)
InChIKeyIZLHUDWGGHDRBK-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.09
Rot. Bonds1

About 1-ethyl-5-iodopyrazol-3-amine

1-ethyl-5-iodopyrazol-3-amine (PubChem CID 154881729) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-ethyl-5-iodopyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-5-iodopyrazol-3-amine
PubChem CID154881729
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC Name1-ethyl-5-iodopyrazol-3-amine
SMILESCCn1nc(N)cc1I
InChIInChI=1S/C5H8IN3/c1-2-9-4(6)3-5(7)8-9/h3H,2H2,1H3,(H2,7,8)
InChIKeyIZLHUDWGGHDRBK-UHFFFAOYSA-N
XLogP1.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.09
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 1-ethyl-5-iodopyrazol-3-amine?
The IUPAC name of 1-ethyl-5-iodopyrazol-3-amine (CID 154881729) is 1-ethyl-5-iodopyrazol-3-amine.
What is the SMILES notation for 1-ethyl-5-iodopyrazol-3-amine?
The canonical SMILES for 1-ethyl-5-iodopyrazol-3-amine is CCn1nc(N)cc1I.
What is the InChIKey of 1-ethyl-5-iodopyrazol-3-amine?
The InChIKey is IZLHUDWGGHDRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c1-2-9-4(6)3-5(7)8-9/h3H,2H2,1H3,(H2,7,8).
What are the key properties of 1-ethyl-5-iodopyrazol-3-amine?
1-ethyl-5-iodopyrazol-3-amine has a molecular weight of 237.04 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-iodopyrazol-3-amine is sourced from PubChem (CID 154881729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).