4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole

C4H3F3N2S2 — CID 123206496

IUPAC4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1SS
InChIInChI=1S/C4H3F3N2S2/c5-4(6,7)3-2(11-10)1-8-9-3/h1,10H,(H,8,9)
InChIKeyJYZNEXFKGFLZES-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.37
Rot. Bonds1

About 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole

4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 123206496) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID123206496
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1SS
InChIInChI=1S/C4H3F3N2S2/c5-4(6,7)3-2(11-10)1-8-9-3/h1,10H,(H,8,9)
InChIKeyJYZNEXFKGFLZES-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-iodo-3-(trifluoromethyl)-1H-pyrazole
CID 16069792
3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 97949439
3-methyl-1H-pyrazole-4-thiol
CID 68374600
Mercaptopyrazole carbonitrile
CID 129755297
4-pentylsulfanyl-5-(trifluoromethyl)-1H-pyrazole
CID 67797063
CID 89129345
CID 89129345
3-(trifluoromethyl)-1H-pyrazole-4-thiol
CID 123654589
3-(Trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 130643902
4-fluoro-5-(trifluoromethyl)-1H-pyrazole
CID 140138971
4-(trifluoromethylsulfanyl)-1H-pyrazole-5-carbonitrile
CID 141024144
4-(trifluoromethylsulfanyl)-1H-pyrazole-5-carbothioamide
CID 141109340
5-methyl-4-(trifluoromethylsulfanyl)-1H-pyrazole
CID 141198807

Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole (CID 123206496) is 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1SS.
What is the InChIKey of 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is JYZNEXFKGFLZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c5-4(6,7)3-2(11-10)1-8-9-3/h1,10H,(H,8,9).
What are the key properties of 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 200.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 123206496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).