1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide

C7H10F3N3O3S — CID 103833956

IUPAC1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O3S/c1-13-4-5(2-11-13)17(15,16)12-3-6(14)7(8,9)10/h2,4,6,12,14H,3H2,1H3
InChIKeyZPTFALFPSKHMDO-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.38
Rot. Bonds4

About 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide (PubChem CID 103833956) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
PubChem CID103833956
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O3S/c1-13-4-5(2-11-13)17(15,16)12-3-6(14)7(8,9)10/h2,4,6,12,14H,3H2,1H3
InChIKeyZPTFALFPSKHMDO-UHFFFAOYSA-N
XLogP-0.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-1H-pyrazole-4-sulfonamide
CID 81341145
1-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 43258985
4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-(trifluoromethyl)morpholine
CID 56874673
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 132378596
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
CID 154662132
4-fluoro-1-[(2S)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 167370942
1-(2,2-difluoroethyl)-N-methylpyrazole-4-sulfonamide
CID 178684852
1-(2,2-difluoroethyl)-N-ethylpyrazole-4-sulfonamide
CID 178685062
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
CID 47038232
1-(2-hydroxyethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65729013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide (CID 103833956) is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)C(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide?
The InChIKey is ZPTFALFPSKHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c1-13-4-5(2-11-13)17(15,16)12-3-6(14)7(8,9)10/h2,4,6,12,14H,3H2,1H3.
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide?
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide has a molecular weight of 273.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 103833956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).