N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide

C14H24F3N3O3S — CID 167972737

IUPACN-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCCC(O)(Cn1nc(C)c(S(=O)(=O)N(C)CC)c1C)C(F)(F)F
InChIInChI=1S/C14H24F3N3O3S/c1-6-8-13(21,14(15,16)17)9-20-11(4)12(10(3)18-20)24(22,23)19(5)7-2/h21H,6-9H2,1-5H3
InChIKeyBXMIQOJPVDTZBT-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.23
Rot. Bonds7

About N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide

N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 167972737) has the molecular formula C14H24F3N3O3S and a molecular weight of 371.43 g/mol. Its IUPAC name is N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID167972737
Molecular FormulaC14H24F3N3O3S
Molecular Weight371.43 g/mol
Exact Mass371.15
IUPAC NameN-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCCC(O)(Cn1nc(C)c(S(=O)(=O)N(C)CC)c1C)C(F)(F)F
InChIInChI=1S/C14H24F3N3O3S/c1-6-8-13(21,14(15,16)17)9-20-11(4)12(10(3)18-20)24(22,23)19(5)7-2/h21H,6-9H2,1-5H3
InChIKeyBXMIQOJPVDTZBT-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide (CID 167972737) is N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide is CCCC(O)(Cn1nc(C)c(S(=O)(=O)N(C)CC)c1C)C(F)(F)F.
What is the InChIKey of N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is BXMIQOJPVDTZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O3S/c1-6-8-13(21,14(15,16)17)9-20-11(4)12(10(3)18-20)24(22,23)19(5)7-2/h21H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 371.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 167972737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).