(2,5-dimethylpyrazol-3-yl)-propyliodanium

C8H14IN2+ — CID 142223871

IUPAC(2,5-dimethylpyrazol-3-yl)-propyliodanium
SMILESCCC[I+]c1cc(C)nn1C
InChIInChI=1S/C8H14IN2/c1-4-5-9-8-6-7(2)10-11(8)3/h6H,4-5H2,1-3H3/q+1
InChIKeyVJTHYTYLJNWJTF-UHFFFAOYSA-N
MW265.12 g/mol
LogP-1.60
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-propyliodanium

(2,5-dimethylpyrazol-3-yl)-propyliodanium (PubChem CID 142223871) has the molecular formula C8H14IN2+ and a molecular weight of 265.12 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-propyliodanium.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-propyliodanium
PubChem CID142223871
Molecular FormulaC8H14IN2+
Molecular Weight265.12 g/mol
Exact Mass265.02
IUPAC Name(2,5-dimethylpyrazol-3-yl)-propyliodanium
SMILESCCC[I+]c1cc(C)nn1C
InChIInChI=1S/C8H14IN2/c1-4-5-9-8-6-7(2)10-11(8)3/h6H,4-5H2,1-3H3/q+1
InChIKeyVJTHYTYLJNWJTF-UHFFFAOYSA-N
XLogP-1.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentane;1,3,5-trimethylpyrazole
CID 143472504
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-(2,5-dimethylpyrazol-3-yl)-2-propylcyclopropan-1-ol
CID 79332586
tributyl-(2,5-dimethylpyrazol-3-yl)stannane
CID 59164497
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
CID 88578905
CID 88578905
CID 168939104
CID 168939104
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
CID 64634986
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-1-amine
CID 62579927

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-propyliodanium?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-propyliodanium (CID 142223871) is (2,5-dimethylpyrazol-3-yl)-propyliodanium.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-propyliodanium?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-propyliodanium is CCC[I+]c1cc(C)nn1C.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-propyliodanium?
The InChIKey is VJTHYTYLJNWJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN2/c1-4-5-9-8-6-7(2)10-11(8)3/h6H,4-5H2,1-3H3/q+1.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-propyliodanium?
(2,5-dimethylpyrazol-3-yl)-propyliodanium has a molecular weight of 265.12 g/mol, XLogP of -1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-propyliodanium is sourced from PubChem (CID 142223871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).