(2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol

C7H11IN2O — CID 118693309

IUPAC(2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol
SMILESC[C@@H](O)[C@H](C)n1cc(I)cn1
InChIInChI=1S/C7H11IN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3/t5-,6+/m0/s1
InChIKeyCRPMOPSNWAWQHH-NTSWFWBYSA-N
MW266.08 g/mol
LogP1.43
Rot. Bonds2

About (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol

(2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol (PubChem CID 118693309) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol
PubChem CID118693309
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name(2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol
SMILESC[C@@H](O)[C@H](C)n1cc(I)cn1
InChIInChI=1S/C7H11IN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3/t5-,6+/m0/s1
InChIKeyCRPMOPSNWAWQHH-NTSWFWBYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-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 (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol (CID 118693309) is (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol is C[C@@H](O)[C@H](C)n1cc(I)cn1.
What is the InChIKey of (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol?
The InChIKey is CRPMOPSNWAWQHH-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol?
(2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol has a molecular weight of 266.08 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-iodopyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 118693309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).