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

C7H12IN3 — CID 90003245

IUPAC1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1cc(I)cn1
InChIInChI=1S/C7H12IN3/c1-7(2,9)5-11-4-6(8)3-10-11/h3-4H,5,9H2,1-2H3
InChIKeyOQJAPEZCOXWSBA-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.23
Rot. Bonds2

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

1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine (PubChem CID 90003245) has the molecular formula C7H12IN3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine
PubChem CID90003245
Molecular FormulaC7H12IN3
Molecular Weight265.10 g/mol
Exact Mass265.01
IUPAC Name1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1cc(I)cn1
InChIInChI=1S/C7H12IN3/c1-7(2,9)5-11-4-6(8)3-10-11/h3-4H,5,9H2,1-2H3
InChIKeyOQJAPEZCOXWSBA-UHFFFAOYSA-N
XLogP1.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-2-cyclopropyl-3-(4-iodopyrazol-1-yl)propanoate
CID 165496691
1-[2-(bromomethyl)-2-propylpentyl]-4-iodopyrazole
CID 65006374
5-(4-iodopyrazol-1-yl)-2,2-dimethylpentan-1-amine
CID 65255899
1-(4,4-dimethylpent-2-ynyl)-4-iodopyrazole
CID 130478803
1-(fluoromethyl)-4-iodopyrazole
CID 170247528
4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanethioamide
CID 65248714
tert-butyl-[2-(4-iodopyrazol-1-yl)ethoxy]-dimethylsilane
CID 164547420
1-but-2-enyl-4-iodopyrazole
CID 77039441
4-(4-iodopyrazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252615
6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710266
N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
CID 106711719
4-iodo-1-pent-3-ynylpyrazole
CID 104743944

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine (CID 90003245) is 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine is CC(C)(N)Cn1cc(I)cn1.
What is the InChIKey of 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine?
The InChIKey is OQJAPEZCOXWSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN3/c1-7(2,9)5-11-4-6(8)3-10-11/h3-4H,5,9H2,1-2H3.
What are the key properties of 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine?
1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine has a molecular weight of 265.10 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 90003245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).