4-chloro-3-iodo-1-methylpyrazole

C4H4ClIN2 — CID 79782466

IUPAC4-chloro-3-iodo-1-methylpyrazole
SMILESCn1cc(Cl)c(I)n1
InChIInChI=1S/C4H4ClIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKeyCRIXGBBCBWNMDI-UHFFFAOYSA-N
MW242.45 g/mol
LogP1.68
Rot. Bonds

About 4-chloro-3-iodo-1-methylpyrazole

4-chloro-3-iodo-1-methylpyrazole (PubChem CID 79782466) has the molecular formula C4H4ClIN2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 4-chloro-3-iodo-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-iodo-1-methylpyrazole
PubChem CID79782466
Molecular FormulaC4H4ClIN2
Molecular Weight242.45 g/mol
Exact Mass241.91
IUPAC Name4-chloro-3-iodo-1-methylpyrazole
SMILESCn1cc(Cl)c(I)n1
InChIInChI=1S/C4H4ClIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKeyCRIXGBBCBWNMDI-UHFFFAOYSA-N
XLogP1.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-3-iodo-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 4-chloro-3-iodo-1-methylpyrazole?
The IUPAC name of 4-chloro-3-iodo-1-methylpyrazole (CID 79782466) is 4-chloro-3-iodo-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-iodo-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-iodo-1-methylpyrazole is Cn1cc(Cl)c(I)n1.
What is the InChIKey of 4-chloro-3-iodo-1-methylpyrazole?
The InChIKey is CRIXGBBCBWNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3.
What are the key properties of 4-chloro-3-iodo-1-methylpyrazole?
4-chloro-3-iodo-1-methylpyrazole has a molecular weight of 242.45 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-1-methylpyrazole is sourced from PubChem (CID 79782466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).