[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane

C11H11F5N2S — CID 177419478

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
SMILESCc1cc(C)n(-c2ccc(S(F)(F)(F)(F)F)cc2)n1
InChIInChI=1S/C11H11F5N2S/c1-8-7-9(2)18(17-8)10-3-5-11(6-4-10)19(12,13,14,15)16/h3-7H,1-2H3
InChIKeyHRJXGXTVXCMCHK-UHFFFAOYSA-N
MW298.28 g/mol
LogP5.15
Rot. Bonds2

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane (PubChem CID 177419478) has the molecular formula C11H11F5N2S and a molecular weight of 298.28 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
PubChem CID177419478
Molecular FormulaC11H11F5N2S
Molecular Weight298.28 g/mol
Exact Mass298.06
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
SMILESCc1cc(C)n(-c2ccc(S(F)(F)(F)(F)F)cc2)n1
InChIInChI=1S/C11H11F5N2S/c1-8-7-9(2)18(17-8)10-3-5-11(6-4-10)19(12,13,14,15)16/h3-7H,1-2H3
InChIKeyHRJXGXTVXCMCHK-UHFFFAOYSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.28
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
4-(3,5-dimethylpyrazol-1-yl)-N-hydroxybenzeneamine oxide
CID 163118514
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
CID 82512795
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
1-(4-azidophenyl)-3,5-dimethylpyrazole
CID 150446996
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
CID 176922321
1-[2-amino-4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104529170
[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate
CID 22086549
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
3,5-dimethyl-1-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]pyrazole
CID 112819165

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane (CID 177419478) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane is Cc1cc(C)n(-c2ccc(S(F)(F)(F)(F)F)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is HRJXGXTVXCMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2S/c1-8-7-9(2)18(17-8)10-3-5-11(6-4-10)19(12,13,14,15)16/h3-7H,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 298.28 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 177419478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).