5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole

C10H7F3N2S2 — CID 19899510

IUPAC5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
SMILESFC(F)(F)Sc1cn[nH]c1Sc1ccccc1
InChIInChI=1S/C10H7F3N2S2/c11-10(12,13)17-8-6-14-15-9(8)16-7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKeyKRFBBAWRDWLAQT-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.17
Rot. Bonds3

About 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole

5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole (PubChem CID 19899510) has the molecular formula C10H7F3N2S2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole.

Molecular Properties

Compound Name5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
PubChem CID19899510
Molecular FormulaC10H7F3N2S2
Molecular Weight276.31 g/mol
Exact Mass276.00
IUPAC Name5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
SMILESFC(F)(F)Sc1cn[nH]c1Sc1ccccc1
InChIInChI=1S/C10H7F3N2S2/c11-10(12,13)17-8-6-14-15-9(8)16-7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKeyKRFBBAWRDWLAQT-UHFFFAOYSA-N
XLogP4.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The IUPAC name of 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole (CID 19899510) is 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole.
What is the SMILES notation for 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The canonical SMILES for 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole is FC(F)(F)Sc1cn[nH]c1Sc1ccccc1.
What is the InChIKey of 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The InChIKey is KRFBBAWRDWLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S2/c11-10(12,13)17-8-6-14-15-9(8)16-7-4-2-1-3-5-7/h1-6H,(H,14,15).
What are the key properties of 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole?
5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole has a molecular weight of 276.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-4-(trifluoromethylsulfanyl)-1H-pyrazole is sourced from PubChem (CID 19899510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).