2-(3-iodo-1-methylpyrazol-4-yl)ethanamine

C6H10IN3 — CID 165083732

IUPAC2-(3-iodo-1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CCN)c(I)n1
InChIInChI=1S/C6H10IN3/c1-10-4-5(2-3-8)6(7)9-10/h4H,2-3,8H2,1H3
InChIKeyYREUDDFRNAWWOX-UHFFFAOYSA-N
MW251.07 g/mol
LogP0.53
Rot. Bonds2

About 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine

2-(3-iodo-1-methylpyrazol-4-yl)ethanamine (PubChem CID 165083732) has the molecular formula C6H10IN3 and a molecular weight of 251.07 g/mol. Its IUPAC name is 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-iodo-1-methylpyrazol-4-yl)ethanamine
PubChem CID165083732
Molecular FormulaC6H10IN3
Molecular Weight251.07 g/mol
Exact Mass250.99
IUPAC Name2-(3-iodo-1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CCN)c(I)n1
InChIInChI=1S/C6H10IN3/c1-10-4-5(2-3-8)6(7)9-10/h4H,2-3,8H2,1H3
InChIKeyYREUDDFRNAWWOX-UHFFFAOYSA-N
XLogP0.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 50.53
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-(3-iodo-1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine (CID 165083732) is 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine is Cn1cc(CCN)c(I)n1.
What is the InChIKey of 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine?
The InChIKey is YREUDDFRNAWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3/c1-10-4-5(2-3-8)6(7)9-10/h4H,2-3,8H2,1H3.
What are the key properties of 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine?
2-(3-iodo-1-methylpyrazol-4-yl)ethanamine has a molecular weight of 251.07 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 165083732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).