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

C8H7ClN2S — CID 123545274

IUPAC1-(5-chlorothiophen-2-yl)-5-methylpyrazole
SMILESCc1ccnn1-c1ccc(Cl)s1
InChIInChI=1S/C8H7ClN2S/c1-6-4-5-10-11(6)8-3-2-7(9)12-8/h2-5H,1H3
InChIKeyRHFCAEHMKQKCGH-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.90
Rot. Bonds1

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

1-(5-chlorothiophen-2-yl)-5-methylpyrazole (PubChem CID 123545274) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-5-methylpyrazole
PubChem CID123545274
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name1-(5-chlorothiophen-2-yl)-5-methylpyrazole
SMILESCc1ccnn1-c1ccc(Cl)s1
InChIInChI=1S/C8H7ClN2S/c1-6-4-5-10-11(6)8-3-2-7(9)12-8/h2-5H,1H3
InChIKeyRHFCAEHMKQKCGH-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

4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
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-3-yl)pyrazole
CID 89311056
5-Methyl-1-thiophen-3-ylpyrazole
CID 91034202
1-(5-Chlorothiophen-2-yl)-4-iodo-5-methylpyrazole
CID 123136917
4-Chloro-1-(5-iodothiophen-2-yl)pyrazole
CID 163539682

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-5-methylpyrazole?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-5-methylpyrazole (CID 123545274) is 1-(5-chlorothiophen-2-yl)-5-methylpyrazole.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-5-methylpyrazole?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-5-methylpyrazole is Cc1ccnn1-c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-5-methylpyrazole?
The InChIKey is RHFCAEHMKQKCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-6-4-5-10-11(6)8-3-2-7(9)12-8/h2-5H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-5-methylpyrazole?
1-(5-chlorothiophen-2-yl)-5-methylpyrazole 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 1-(5-chlorothiophen-2-yl)-5-methylpyrazole is sourced from PubChem (CID 123545274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).