N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C8H12F3N3O2S — CID 60960173

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12F3N3O2S/c1-6(2)14(5-8(9,10)11)17(15,16)7-3-12-13-4-7/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyARWOPVBDQANDEN-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.37
Rot. Bonds4

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60960173) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60960173
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12F3N3O2S/c1-6(2)14(5-8(9,10)11)17(15,16)7-3-12-13-4-7/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyARWOPVBDQANDEN-UHFFFAOYSA-N
XLogP1.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60960173) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ARWOPVBDQANDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-6(2)14(5-8(9,10)11)17(15,16)7-3-12-13-4-7/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60960173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).