3-(4-iodopyrazol-1-yl)cyclopentan-1-ol

C8H11IN2O — CID 155120651

IUPAC3-(4-iodopyrazol-1-yl)cyclopentan-1-ol
SMILESOC1CCC(n2cc(I)cn2)C1
InChIInChI=1S/C8H11IN2O/c9-6-4-10-11(5-6)7-1-2-8(12)3-7/h4-5,7-8,12H,1-3H2
InChIKeyISTXXZAMWFPTDB-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.57
Rot. Bonds1

About 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol

3-(4-iodopyrazol-1-yl)cyclopentan-1-ol (PubChem CID 155120651) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-iodopyrazol-1-yl)cyclopentan-1-ol
PubChem CID155120651
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name3-(4-iodopyrazol-1-yl)cyclopentan-1-ol
SMILESOC1CCC(n2cc(I)cn2)C1
InChIInChI=1S/C8H11IN2O/c9-6-4-10-11(5-6)7-1-2-8(12)3-7/h4-5,7-8,12H,1-3H2
InChIKeyISTXXZAMWFPTDB-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol 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 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol (CID 155120651) is 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol is OC1CCC(n2cc(I)cn2)C1.
What is the InChIKey of 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is ISTXXZAMWFPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c9-6-4-10-11(5-6)7-1-2-8(12)3-7/h4-5,7-8,12H,1-3H2.
What are the key properties of 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol?
3-(4-iodopyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 278.09 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodopyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 155120651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).