3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole

C10H10F2N2S — CID 69087337

IUPAC3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
SMILESCn1nc(C(C)(F)F)cc1-c1cccs1
InChIInChI=1S/C10H10F2N2S/c1-10(11,12)9-6-7(14(2)13-9)8-4-3-5-15-8/h3-6H,1-2H3
InChIKeyJFRYNKIOEVSQEC-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.26
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole

3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole (PubChem CID 69087337) has the molecular formula C10H10F2N2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
PubChem CID69087337
Molecular FormulaC10H10F2N2S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
SMILESCn1nc(C(C)(F)F)cc1-c1cccs1
InChIInChI=1S/C10H10F2N2S/c1-10(11,12)9-6-7(14(2)13-9)8-4-3-5-15-8/h3-6H,1-2H3
InChIKeyJFRYNKIOEVSQEC-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole (CID 69087337) is 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole is Cn1nc(C(C)(F)F)cc1-c1cccs1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole?
The InChIKey is JFRYNKIOEVSQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2S/c1-10(11,12)9-6-7(14(2)13-9)8-4-3-5-15-8/h3-6H,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole?
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole has a molecular weight of 228.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 69087337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).