5-(2-iodopropan-2-yl)-1-methylpyrazole

C7H11IN2 — CID 129132491

IUPAC5-(2-iodopropan-2-yl)-1-methylpyrazole
SMILESCn1nccc1C(C)(C)I
InChIInChI=1S/C7H11IN2/c1-7(2,8)6-4-5-9-10(6)3/h4-5H,1-3H3
InChIKeyYPEJJSCRHIMANZ-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.09
Rot. Bonds1

About 5-(2-iodopropan-2-yl)-1-methylpyrazole

5-(2-iodopropan-2-yl)-1-methylpyrazole (PubChem CID 129132491) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 5-(2-iodopropan-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2-iodopropan-2-yl)-1-methylpyrazole
PubChem CID129132491
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name5-(2-iodopropan-2-yl)-1-methylpyrazole
SMILESCn1nccc1C(C)(C)I
InChIInChI=1S/C7H11IN2/c1-7(2,8)6-4-5-9-10(6)3/h4-5H,1-3H3
InChIKeyYPEJJSCRHIMANZ-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.09
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'}

Analyze 5-(2-iodopropan-2-yl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodopropan-2-yl)-1-methylpyrazole?
The IUPAC name of 5-(2-iodopropan-2-yl)-1-methylpyrazole (CID 129132491) is 5-(2-iodopropan-2-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(2-iodopropan-2-yl)-1-methylpyrazole?
The canonical SMILES for 5-(2-iodopropan-2-yl)-1-methylpyrazole is Cn1nccc1C(C)(C)I.
What is the InChIKey of 5-(2-iodopropan-2-yl)-1-methylpyrazole?
The InChIKey is YPEJJSCRHIMANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2/c1-7(2,8)6-4-5-9-10(6)3/h4-5H,1-3H3.
What are the key properties of 5-(2-iodopropan-2-yl)-1-methylpyrazole?
5-(2-iodopropan-2-yl)-1-methylpyrazole has a molecular weight of 250.08 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodopropan-2-yl)-1-methylpyrazole is sourced from PubChem (CID 129132491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).