1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole

C8H6ClIN2S — CID 123136917

IUPAC1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole
SMILESCc1c(I)cnn1-c1ccc(Cl)s1
InChIInChI=1S/C8H6ClIN2S/c1-5-6(10)4-11-12(5)8-3-2-7(9)13-8/h2-4H,1H3
InChIKeyMXWNVNJYLLGSLZ-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.50
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole

1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole (PubChem CID 123136917) has the molecular formula C8H6ClIN2S and a molecular weight of 324.57 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole
PubChem CID123136917
Molecular FormulaC8H6ClIN2S
Molecular Weight324.57 g/mol
Exact Mass323.90
IUPAC Name1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole
SMILESCc1c(I)cnn1-c1ccc(Cl)s1
InChIInChI=1S/C8H6ClIN2S/c1-5-6(10)4-11-12(5)8-3-2-7(9)13-8/h2-4H,1H3
InChIKeyMXWNVNJYLLGSLZ-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-3-methyl-1-thiophen-2-ylpyrazole
CID 22179798
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
1-(5-iodo-2-thienyl)-5-methyl-1H-pyrazole
CID 67207339
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
1-(5-Chlorothiophen-2-yl)-5-methylpyrazole
CID 123545274
4-Chloro-1-(5-iodothiophen-2-yl)pyrazole
CID 163539682
3-Chloro-5-methyl-1-thiophen-2-ylpyrazole
CID 173187505
5-Iodo-1-(3-iodothiophen-2-yl)pyrazole
CID 53310185
5-Iodo-1-(5-iodothiophen-2-yl)pyrazole
CID 53310194
1-[(5-Chlorothiophen-3-yl)methyl]-3-methylpyrazole
CID 131204229

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole (CID 123136917) is 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole is Cc1c(I)cnn1-c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole?
The InChIKey is MXWNVNJYLLGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2S/c1-5-6(10)4-11-12(5)8-3-2-7(9)13-8/h2-4H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole?
1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole has a molecular weight of 324.57 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-iodo-5-methylpyrazole is sourced from PubChem (CID 123136917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).