5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole

C10H11ClN2S — CID 71145587

IUPAC5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1nccc1-c1csc(Cl)c1
InChIInChI=1S/C10H11ClN2S/c1-7(2)13-9(3-4-12-13)8-5-10(11)14-6-8/h3-7H,1-2H3
InChIKeyZJFAZCWFTXGOIO-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.85
Rot. Bonds2

About 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole

5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole (PubChem CID 71145587) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole
PubChem CID71145587
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1nccc1-c1csc(Cl)c1
InChIInChI=1S/C10H11ClN2S/c1-7(2)13-9(3-4-12-13)8-5-10(11)14-6-8/h3-7H,1-2H3
InChIKeyZJFAZCWFTXGOIO-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole?
The IUPAC name of 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole (CID 71145587) is 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole is CC(C)n1nccc1-c1csc(Cl)c1.
What is the InChIKey of 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole?
The InChIKey is ZJFAZCWFTXGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-7(2)13-9(3-4-12-13)8-5-10(11)14-6-8/h3-7H,1-2H3.
What are the key properties of 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole?
5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole has a molecular weight of 226.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-3-yl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 71145587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).