N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide

C9H14F3N3O2S — CID 104621057

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2S/c1-2-7-6-13-14-8(7)15-18(16,17)5-3-4-9(10,11)12/h6H,2-5H2,1H3,(H2,13,14,15)
InChIKeyGDUBUNABHJOIJK-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.06
Rot. Bonds6

About N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 104621057) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID104621057
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2S/c1-2-7-6-13-14-8(7)15-18(16,17)5-3-4-9(10,11)12/h6H,2-5H2,1H3,(H2,13,14,15)
InChIKeyGDUBUNABHJOIJK-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 104621057) is N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide is CCc1cn[nH]c1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is GDUBUNABHJOIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-2-7-6-13-14-8(7)15-18(16,17)5-3-4-9(10,11)12/h6H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 104621057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).