1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole

C5H6F2N2S2 — CID 123440795

IUPAC1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole
SMILESFC(F)Cn1cc(SS)cn1
InChIInChI=1S/C5H6F2N2S2/c6-5(7)3-9-2-4(11-10)1-8-9/h1-2,5,10H,3H2
InChIKeyZGIGSTKLDDLNMF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.09
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole

1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole (PubChem CID 123440795) has the molecular formula C5H6F2N2S2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole
PubChem CID123440795
Molecular FormulaC5H6F2N2S2
Molecular Weight196.25 g/mol
Exact Mass195.99
IUPAC Name1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole
SMILESFC(F)Cn1cc(SS)cn1
InChIInChI=1S/C5H6F2N2S2/c6-5(7)3-9-2-4(11-10)1-8-9/h1-2,5,10H,3H2
InChIKeyZGIGSTKLDDLNMF-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxyethanol
CID 156587220
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
1-(2,2-difluoroethyl)-4-(3-iodophenyl)pyrazole
CID 79787921
1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-phenylethanone
CID 164872116
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 169167191
methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 154881995
3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine
CID 70915313

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole (CID 123440795) is 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole is FC(F)Cn1cc(SS)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole?
The InChIKey is ZGIGSTKLDDLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2S2/c6-5(7)3-9-2-4(11-10)1-8-9/h1-2,5,10H,3H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole?
1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole has a molecular weight of 196.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(disulfanyl)pyrazole is sourced from PubChem (CID 123440795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).