5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide

C9H14F3N3O2S — CID 115486686

IUPAC5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2S/c1-7-8(6-13-15-7)18(16,17)14-5-3-2-4-9(10,11)12/h6,14H,2-5H2,1H3,(H,13,15)
InChIKeyLFAXANDZVXUXNB-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.73
Rot. Bonds6

About 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 115486686) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
PubChem CID115486686
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC Name5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2S/c1-7-8(6-13-15-7)18(16,17)14-5-3-2-4-9(10,11)12/h6,14H,2-5H2,1H3,(H,13,15)
InChIKeyLFAXANDZVXUXNB-UHFFFAOYSA-N
XLogP1.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 50987638
5-methyl-1H-pyrazole-4-sulfonamide
CID 60911472
3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 97949439
5-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 154578265
N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912485
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-4-(2,2,3,3-tetrafluoropropyl)piperazine
CID 72013748
5-cyano-N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 89483555
3-(Trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 130643902
4-methylsulfonyl-5-(trifluoromethyl)-1H-pyrazole
CID 131124167
5-methyl-4-(trifluoromethylsulfinyl)-1H-pyrazole
CID 149991623
5-methyl-4-(trifluoromethylsulfonyl)-1H-pyrazole
CID 177724420
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877069

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide (CID 115486686) is 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LFAXANDZVXUXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-7-8(6-13-15-7)18(16,17)14-5-3-2-4-9(10,11)12/h6,14H,2-5H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115486686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).