5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole

C9H8F2N2S — CID 123928719

IUPAC5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole
SMILESCC(F)(F)c1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C9H8F2N2S/c1-9(10,11)8-5-6(12-13-8)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKeyVGPITMYGZWPFCA-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.25
Rot. Bonds2

About 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole

5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole (PubChem CID 123928719) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole
PubChem CID123928719
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC Name5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole
SMILESCC(F)(F)c1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C9H8F2N2S/c1-9(10,11)8-5-6(12-13-8)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKeyVGPITMYGZWPFCA-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Methyl-5-(2-thienyl)-1h-pyrazole
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5-(Thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155896415
4-nitroso-3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
CID 162643219
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 162666140
3-[(E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-1H-pyrazole
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CID 2739854

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole (CID 123928719) is 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole is CC(F)(F)c1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole?
The InChIKey is VGPITMYGZWPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c1-9(10,11)8-5-6(12-13-8)7-3-2-4-14-7/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole?
5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole has a molecular weight of 214.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 123928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).