3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole

C8H7ClN2S — CID 5260620

IUPAC3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(Cl)s2)n[nH]1
InChIInChI=1S/C8H7ClN2S/c1-5-4-6(11-10-5)7-2-3-8(9)12-7/h2-4H,1H3,(H,10,11)
InChIKeyGPJDVJRMHQFPBL-UHFFFAOYSA-N
MW198.68 g/mol
LogP3.10
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole

3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole (PubChem CID 5260620) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole
PubChem CID5260620
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2ccc(Cl)s2)n[nH]1
InChIInChI=1S/C8H7ClN2S/c1-5-4-6(11-10-5)7-2-3-8(9)12-7/h2-4H,1H3,(H,10,11)
InChIKeyGPJDVJRMHQFPBL-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole (CID 5260620) is 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole is Cc1cc(-c2ccc(Cl)s2)n[nH]1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole?
The InChIKey is GPJDVJRMHQFPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-5-4-6(11-10-5)7-2-3-8(9)12-7/h2-4H,1H3,(H,10,11).
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole?
3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole has a molecular weight of 198.68 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 5260620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).