1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine

C11H17F3N4O2S — CID 61125153

IUPAC1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)n1
InChIInChI=1S/C11H17F3N4O2S/c1-2-17-7-9(10(15)16-17)21(19,20)18-5-3-4-8(6-18)11(12,13)14/h7-8H,2-6H2,1H3,(H2,15,16)
InChIKeyUUMCEWAADMXIKX-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.45
Rot. Bonds3

About 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine

1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine (PubChem CID 61125153) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
PubChem CID61125153
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)n1
InChIInChI=1S/C11H17F3N4O2S/c1-2-17-7-9(10(15)16-17)21(19,20)18-5-3-4-8(6-18)11(12,13)14/h7-8H,2-6H2,1H3,(H2,15,16)
InChIKeyUUMCEWAADMXIKX-UHFFFAOYSA-N
XLogP1.45
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The IUPAC name of 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine (CID 61125153) is 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine is CCn1cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)n1.
What is the InChIKey of 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The InChIKey is UUMCEWAADMXIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-2-17-7-9(10(15)16-17)21(19,20)18-5-3-4-8(6-18)11(12,13)14/h7-8H,2-6H2,1H3,(H2,15,16).
What are the key properties of 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine has a molecular weight of 326.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine is sourced from PubChem (CID 61125153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).