3-iodo-1,5-dimethylpyrazol-4-amine

C5H8IN3 — CID 1211722

IUPAC3-iodo-1,5-dimethylpyrazol-4-amine
SMILESCc1c(N)c(I)nn1C
InChIInChI=1S/C5H8IN3/c1-3-4(7)5(6)8-9(3)2/h7H2,1-2H3
InChIKeyQSVDGOBIXSOUHX-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.92
Rot. Bonds

About 3-iodo-1,5-dimethylpyrazol-4-amine

3-iodo-1,5-dimethylpyrazol-4-amine (PubChem CID 1211722) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 3-iodo-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name3-iodo-1,5-dimethylpyrazol-4-amine
PubChem CID1211722
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC Name3-iodo-1,5-dimethylpyrazol-4-amine
SMILESCc1c(N)c(I)nn1C
InChIInChI=1S/C5H8IN3/c1-3-4(7)5(6)8-9(3)2/h7H2,1-2H3
InChIKeyQSVDGOBIXSOUHX-UHFFFAOYSA-N
XLogP0.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.92
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 3-iodo-1,5-dimethylpyrazol-4-amine?
The IUPAC name of 3-iodo-1,5-dimethylpyrazol-4-amine (CID 1211722) is 3-iodo-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 3-iodo-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for 3-iodo-1,5-dimethylpyrazol-4-amine is Cc1c(N)c(I)nn1C.
What is the InChIKey of 3-iodo-1,5-dimethylpyrazol-4-amine?
The InChIKey is QSVDGOBIXSOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c1-3-4(7)5(6)8-9(3)2/h7H2,1-2H3.
What are the key properties of 3-iodo-1,5-dimethylpyrazol-4-amine?
3-iodo-1,5-dimethylpyrazol-4-amine has a molecular weight of 237.04 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 1211722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).