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

C8H7ClN2S — CID 173187505

IUPAC3-chloro-5-methyl-1-thiophen-2-ylpyrazole
SMILESCc1cc(Cl)nn1-c1cccs1
InChIInChI=1S/C8H7ClN2S/c1-6-5-7(9)10-11(6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyNGBGRVSRVSGDPK-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.90
Rot. Bonds1

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

3-chloro-5-methyl-1-thiophen-2-ylpyrazole (PubChem CID 173187505) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 3-chloro-5-methyl-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-chloro-5-methyl-1-thiophen-2-ylpyrazole
PubChem CID173187505
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name3-chloro-5-methyl-1-thiophen-2-ylpyrazole
SMILESCc1cc(Cl)nn1-c1cccs1
InChIInChI=1S/C8H7ClN2S/c1-6-5-7(9)10-11(6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyNGBGRVSRVSGDPK-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1-thiophen-2-ylpyrazole?
The IUPAC name of 3-chloro-5-methyl-1-thiophen-2-ylpyrazole (CID 173187505) is 3-chloro-5-methyl-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-chloro-5-methyl-1-thiophen-2-ylpyrazole?
The canonical SMILES for 3-chloro-5-methyl-1-thiophen-2-ylpyrazole is Cc1cc(Cl)nn1-c1cccs1.
What is the InChIKey of 3-chloro-5-methyl-1-thiophen-2-ylpyrazole?
The InChIKey is NGBGRVSRVSGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-6-5-7(9)10-11(6)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 3-chloro-5-methyl-1-thiophen-2-ylpyrazole?
3-chloro-5-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 3-chloro-5-methyl-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 173187505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).