5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole

C10H7F3N2S — CID 139624527

IUPAC5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole
SMILESFC(F)(F)c1cccc(Sc2ccn[nH]2)c1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-2-1-3-8(6-7)16-9-4-5-14-15-9/h1-6H,(H,14,15)
InChIKeyLQGTVKFWCILZKY-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.58
Rot. Bonds2

About 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole

5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole (PubChem CID 139624527) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole
PubChem CID139624527
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole
SMILESFC(F)(F)c1cccc(Sc2ccn[nH]2)c1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-2-1-3-8(6-7)16-9-4-5-14-15-9/h1-6H,(H,14,15)
InChIKeyLQGTVKFWCILZKY-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole (CID 139624527) is 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole is FC(F)(F)c1cccc(Sc2ccn[nH]2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole?
The InChIKey is LQGTVKFWCILZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)7-2-1-3-8(6-7)16-9-4-5-14-15-9/h1-6H,(H,14,15).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole?
5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole has a molecular weight of 244.24 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazole is sourced from PubChem (CID 139624527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).