N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide

C8H12F3N3O2S — CID 95741340

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3O2S/c1-2-3-17(15,16)13-7-4-12-14(5-7)6-8(9,10)11/h4-5,13H,2-3,6H2,1H3
InChIKeyKSLYCPVVWRRGME-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide (PubChem CID 95741340) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide
PubChem CID95741340
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3O2S/c1-2-3-17(15,16)13-7-4-12-14(5-7)6-8(9,10)11/h4-5,13H,2-3,6H2,1H3
InChIKeyKSLYCPVVWRRGME-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide
CID 75499050
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
CID 4866532
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
4,4,4-trifluoro-N-(1-pyrimidin-2-ylpyrazol-4-yl)butane-1-sulfonamide
CID 100714855
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
CID 60934478
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide (CID 95741340) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide?
The InChIKey is KSLYCPVVWRRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-2-3-17(15,16)13-7-4-12-14(5-7)6-8(9,10)11/h4-5,13H,2-3,6H2,1H3.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 95741340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).