5-chloro-3-methyl-1-thiophen-2-ylpyrazole

C8H7ClN2S — CID 22179798

IUPAC5-chloro-3-methyl-1-thiophen-2-ylpyrazole
SMILESCc1cc(Cl)n(-c2cccs2)n1
InChIInChI=1S/C8H7ClN2S/c1-6-5-7(9)11(10-6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyDMLJEEUWKDCEAN-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.90
Rot. Bonds1

About 5-chloro-3-methyl-1-thiophen-2-ylpyrazole

5-chloro-3-methyl-1-thiophen-2-ylpyrazole (PubChem CID 22179798) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-methyl-1-thiophen-2-ylpyrazole
PubChem CID22179798
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name5-chloro-3-methyl-1-thiophen-2-ylpyrazole
SMILESCc1cc(Cl)n(-c2cccs2)n1
InChIInChI=1S/C8H7ClN2S/c1-6-5-7(9)11(10-6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyDMLJEEUWKDCEAN-UHFFFAOYSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chlorothiophen-2-yl)-4-iodo-5-methylpyrazole
CID 123136917
1-(5-Chlorothiophen-2-yl)-5-methylpyrazole
CID 123545274
3-Chloro-5-methyl-1-thiophen-2-ylpyrazole
CID 173187505
3,5-Dimethyl-1-thiophen-2-ylpyrazole
CID 23527869

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-thiophen-2-ylpyrazole?
The IUPAC name of 5-chloro-3-methyl-1-thiophen-2-ylpyrazole (CID 22179798) is 5-chloro-3-methyl-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 5-chloro-3-methyl-1-thiophen-2-ylpyrazole?
The canonical SMILES for 5-chloro-3-methyl-1-thiophen-2-ylpyrazole is Cc1cc(Cl)n(-c2cccs2)n1.
What is the InChIKey of 5-chloro-3-methyl-1-thiophen-2-ylpyrazole?
The InChIKey is DMLJEEUWKDCEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-6-5-7(9)11(10-6)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 5-chloro-3-methyl-1-thiophen-2-ylpyrazole?
5-chloro-3-methyl-1-thiophen-2-ylpyrazole has a molecular weight of 198.68 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 22179798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).