3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole

C10H11FN2S — CID 142566294

IUPAC3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2sccc2F)n1
InChIInChI=1S/C10H11FN2S/c1-7(2)13-5-3-9(12-13)10-8(11)4-6-14-10/h3-7H,1-2H3
InChIKeyQBSGXLKAGAYZRM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.33
Rot. Bonds2

About 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole

3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole (PubChem CID 142566294) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole
PubChem CID142566294
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(-c2sccc2F)n1
InChIInChI=1S/C10H11FN2S/c1-7(2)13-5-3-9(12-13)10-8(11)4-6-14-10/h3-7H,1-2H3
InChIKeyQBSGXLKAGAYZRM-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole (CID 142566294) is 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole is CC(C)n1ccc(-c2sccc2F)n1.
What is the InChIKey of 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole?
The InChIKey is QBSGXLKAGAYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c1-7(2)13-5-3-9(12-13)10-8(11)4-6-14-10/h3-7H,1-2H3.
What are the key properties of 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole?
3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole has a molecular weight of 210.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorothiophen-2-yl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).