4-iodo-1-propan-2-ylpyrazol-5-amine

C6H10IN3 — CID 25324162

IUPAC4-iodo-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(I)c1N
InChIInChI=1S/C6H10IN3/c1-4(2)10-6(8)5(7)3-9-10/h3-4H,8H2,1-2H3
InChIKeyLFFPVWQSLURSOX-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.65
Rot. Bonds1

About 4-iodo-1-propan-2-ylpyrazol-5-amine

4-iodo-1-propan-2-ylpyrazol-5-amine (PubChem CID 25324162) has the molecular formula C6H10IN3 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-iodo-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-propan-2-ylpyrazol-5-amine
PubChem CID25324162
Molecular FormulaC6H10IN3
Molecular Weight251.07 g/mol
Exact Mass250.99
IUPAC Name4-iodo-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(I)c1N
InChIInChI=1S/C6H10IN3/c1-4(2)10-6(8)5(7)3-9-10/h3-4H,8H2,1-2H3
InChIKeyLFFPVWQSLURSOX-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.65
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 4-iodo-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-iodo-1-propan-2-ylpyrazol-5-amine (CID 25324162) is 4-iodo-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-iodo-1-propan-2-ylpyrazol-5-amine is CC(C)n1ncc(I)c1N.
What is the InChIKey of 4-iodo-1-propan-2-ylpyrazol-5-amine?
The InChIKey is LFFPVWQSLURSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3/c1-4(2)10-6(8)5(7)3-9-10/h3-4H,8H2,1-2H3.
What are the key properties of 4-iodo-1-propan-2-ylpyrazol-5-amine?
4-iodo-1-propan-2-ylpyrazol-5-amine has a molecular weight of 251.07 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 25324162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).