3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole

C10H10F2N2S — CID 142566138

IUPAC3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2sc(F)cc2F)n1
InChIInChI=1S/C10H10F2N2S/c1-6(2)14-4-3-8(13-14)10-7(11)5-9(12)15-10/h3-6H,1-2H3
InChIKeyWFNGEXLKSRYBJH-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.47
Rot. Bonds2

About 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole

3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole (PubChem CID 142566138) has the molecular formula C10H10F2N2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole
PubChem CID142566138
Molecular FormulaC10H10F2N2S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2sc(F)cc2F)n1
InChIInChI=1S/C10H10F2N2S/c1-6(2)14-4-3-8(13-14)10-7(11)5-9(12)15-10/h3-6H,1-2H3
InChIKeyWFNGEXLKSRYBJH-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole (CID 142566138) is 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole is CC(C)n1ccc(-c2sc(F)cc2F)n1.
What is the InChIKey of 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole?
The InChIKey is WFNGEXLKSRYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2S/c1-6(2)14-4-3-8(13-14)10-7(11)5-9(12)15-10/h3-6H,1-2H3.
What are the key properties of 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole?
3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole has a molecular weight of 228.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorothiophen-2-yl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).