5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole

C5H5F3N2S — CID 126750717

IUPAC5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole
SMILESFC(F)(F)CSc1ccn[nH]1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)3-11-4-1-2-9-10-4/h1-2H,3H2,(H,9,10)
InChIKeyUMJRBLAXRKPNBQ-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.06
Rot. Bonds2

About 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole

5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole (PubChem CID 126750717) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole
PubChem CID126750717
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole
SMILESFC(F)(F)CSc1ccn[nH]1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)3-11-4-1-2-9-10-4/h1-2H,3H2,(H,9,10)
InChIKeyUMJRBLAXRKPNBQ-UHFFFAOYSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole (CID 126750717) is 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole is FC(F)(F)CSc1ccn[nH]1.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole?
The InChIKey is UMJRBLAXRKPNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)3-11-4-1-2-9-10-4/h1-2H,3H2,(H,9,10).
What are the key properties of 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole?
5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole has a molecular weight of 182.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylsulfanyl)-1H-pyrazole is sourced from PubChem (CID 126750717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).