3-(3-chlorothiophen-2-yl)-1-methylpyrazole

C8H7ClN2S — CID 142305317

IUPAC3-(3-chlorothiophen-2-yl)-1-methylpyrazole
SMILESCn1ccc(-c2sccc2Cl)n1
InChIInChI=1S/C8H7ClN2S/c1-11-4-2-7(10-11)8-6(9)3-5-12-8/h2-5H,1H3
InChIKeyNWRQVMRNNCCDCN-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.80
Rot. Bonds1

About 3-(3-chlorothiophen-2-yl)-1-methylpyrazole

3-(3-chlorothiophen-2-yl)-1-methylpyrazole (PubChem CID 142305317) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-1-methylpyrazole
PubChem CID142305317
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name3-(3-chlorothiophen-2-yl)-1-methylpyrazole
SMILESCn1ccc(-c2sccc2Cl)n1
InChIInChI=1S/C8H7ClN2S/c1-11-4-2-7(10-11)8-6(9)3-5-12-8/h2-5H,1H3
InChIKeyNWRQVMRNNCCDCN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305
3-chloro-6-(3-chlorothiophen-2-yl)pyridazine
CID 107360927
4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 19620854
1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025612
4-chloro-2-(3-chlorothiophen-2-yl)pyridine
CID 107360947
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395141
2-bromo-6-(3-chlorothiophen-2-yl)pyridine
CID 107360930
6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034
3,4,5-trimethyl-6-(1-methylpyrazol-3-yl)pyridazine
CID 169123970
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-1-methylpyrazole?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-1-methylpyrazole (CID 142305317) is 3-(3-chlorothiophen-2-yl)-1-methylpyrazole.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-1-methylpyrazole?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-1-methylpyrazole is Cn1ccc(-c2sccc2Cl)n1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-1-methylpyrazole?
The InChIKey is NWRQVMRNNCCDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-11-4-2-7(10-11)8-6(9)3-5-12-8/h2-5H,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-1-methylpyrazole?
3-(3-chlorothiophen-2-yl)-1-methylpyrazole has a molecular weight of 198.68 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-1-methylpyrazole is sourced from PubChem (CID 142305317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).