N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide

C7H10F3N3O2S — CID 102693131

IUPACN-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10F3N3O2S/c1-13(5-3-7(8,9)10)16(14,15)6-2-4-11-12-6/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyKWBLIFPMOSHDMX-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.98
Rot. Bonds4

About N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide

N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693131) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693131
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10F3N3O2S/c1-13(5-3-7(8,9)10)16(14,15)6-2-4-11-12-6/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyKWBLIFPMOSHDMX-UHFFFAOYSA-N
XLogP0.98
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
1H-Pyrazole-5-sulfonyl fluoride
CID 130871771
3-[(Trifluoromethyl)sulfonyl]pyrazole
CID 54057584
1H-Pyrazole-3-sulfonyl chloride
CID 53734186
N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 132295301
5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-1H-pyrazole
CID 87075086
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
5-(fluoromethylsulfonyl)-1H-pyrazole
CID 141076191
fluoro 1H-pyrazole-5-sulfonate
CID 151130773
2-methylsulfanylethanamine;5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 158382503
5-(2,2,2-trifluoroethylsulfonyl)-1H-pyrazole
CID 174904802

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide (CID 102693131) is N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is KWBLIFPMOSHDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-13(5-3-7(8,9)10)16(14,15)6-2-4-11-12-6/h2,4H,3,5H2,1H3,(H,11,12).
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 257.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).