(4-iodo-1,3-dimethylpyrazol-5-yl)methanol

C6H9IN2O — CID 71307692

IUPAC(4-iodo-1,3-dimethylpyrazol-5-yl)methanol
SMILESCc1nn(C)c(CO)c1I
InChIInChI=1S/C6H9IN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3
InChIKeyFBUYLCVUXNTMHH-UHFFFAOYSA-N
MW252.05 g/mol
LogP0.83
Rot. Bonds1

About (4-iodo-1,3-dimethylpyrazol-5-yl)methanol

(4-iodo-1,3-dimethylpyrazol-5-yl)methanol (PubChem CID 71307692) has the molecular formula C6H9IN2O and a molecular weight of 252.05 g/mol. Its IUPAC name is (4-iodo-1,3-dimethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-iodo-1,3-dimethylpyrazol-5-yl)methanol
PubChem CID71307692
Molecular FormulaC6H9IN2O
Molecular Weight252.05 g/mol
Exact Mass251.98
IUPAC Name(4-iodo-1,3-dimethylpyrazol-5-yl)methanol
SMILESCc1nn(C)c(CO)c1I
InChIInChI=1S/C6H9IN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3
InChIKeyFBUYLCVUXNTMHH-UHFFFAOYSA-N
XLogP0.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-iodo-1,3-dimethylpyrazol-5-yl)methanol 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 (4-iodo-1,3-dimethylpyrazol-5-yl)methanol?
The IUPAC name of (4-iodo-1,3-dimethylpyrazol-5-yl)methanol (CID 71307692) is (4-iodo-1,3-dimethylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-iodo-1,3-dimethylpyrazol-5-yl)methanol?
The canonical SMILES for (4-iodo-1,3-dimethylpyrazol-5-yl)methanol is Cc1nn(C)c(CO)c1I.
What is the InChIKey of (4-iodo-1,3-dimethylpyrazol-5-yl)methanol?
The InChIKey is FBUYLCVUXNTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3.
What are the key properties of (4-iodo-1,3-dimethylpyrazol-5-yl)methanol?
(4-iodo-1,3-dimethylpyrazol-5-yl)methanol has a molecular weight of 252.05 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-1,3-dimethylpyrazol-5-yl)methanol is sourced from PubChem (CID 71307692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).