3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide

C8H11F4N3O2S — CID 103577916

IUPAC3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4N3O2S/c1-4-6(5(2)15-14-4)18(16,17)13-3-8(11,12)7(9)10/h7,13H,3H2,1-2H3,(H,14,15)
InChIKeyYHFXPNJPZUICQE-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.21
Rot. Bonds5

About 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 103577916) has the molecular formula C8H11F4N3O2S and a molecular weight of 289.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
PubChem CID103577916
Molecular FormulaC8H11F4N3O2S
Molecular Weight289.25 g/mol
Exact Mass289.05
IUPAC Name3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4N3O2S/c1-4-6(5(2)15-14-4)18(16,17)13-3-8(11,12)7(9)10/h7,13H,3H2,1-2H3,(H,14,15)
InChIKeyYHFXPNJPZUICQE-UHFFFAOYSA-N
XLogP1.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
CID 548613
3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 594587
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
CID 4962643
1-(3,5-Dimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 4564826
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
N-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226783
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43243326
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
3,5-Dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole
CID 4736860
N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43263710
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 132327482

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide (CID 103577916) is 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YHFXPNJPZUICQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3O2S/c1-4-6(5(2)15-14-4)18(16,17)13-3-8(11,12)7(9)10/h7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 289.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103577916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).