4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole

C9H7Cl2IN2S — CID 130690175

IUPAC4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole
SMILESCn1ncc(C(Cl)c2ccc(Cl)s2)c1I
InChIInChI=1S/C9H7Cl2IN2S/c1-14-9(12)5(4-13-14)8(11)6-2-3-7(10)15-6/h2-4,8H,1H3
InChIKeySXLAIMZHTHKCDU-UHFFFAOYSA-N
MW373.05 g/mol
LogP4.07
Rot. Bonds2

About 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole

4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole (PubChem CID 130690175) has the molecular formula C9H7Cl2IN2S and a molecular weight of 373.05 g/mol. Its IUPAC name is 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole.

Molecular Properties

Compound Name4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole
PubChem CID130690175
Molecular FormulaC9H7Cl2IN2S
Molecular Weight373.05 g/mol
Exact Mass371.88
IUPAC Name4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole
SMILESCn1ncc(C(Cl)c2ccc(Cl)s2)c1I
InChIInChI=1S/C9H7Cl2IN2S/c1-14-9(12)5(4-13-14)8(11)6-2-3-7(10)15-6/h2-4,8H,1H3
InChIKeySXLAIMZHTHKCDU-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-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-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole?
The IUPAC name of 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole (CID 130690175) is 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole.
What is the SMILES notation for 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole?
The canonical SMILES for 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole is Cn1ncc(C(Cl)c2ccc(Cl)s2)c1I.
What is the InChIKey of 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole?
The InChIKey is SXLAIMZHTHKCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2IN2S/c1-14-9(12)5(4-13-14)8(11)6-2-3-7(10)15-6/h2-4,8H,1H3.
What are the key properties of 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole?
4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole has a molecular weight of 373.05 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(5-chlorothiophen-2-yl)methyl]-5-iodo-1-methylpyrazole is sourced from PubChem (CID 130690175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).