1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

C11H16F3N3O2S — CID 10591108

IUPAC1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2S/c1-2-16-8-9(10(15-16)11(12,13)14)20(18,19)17-6-4-3-5-7-17/h8H,2-7H2,1H3
InChIKeyUHLIIOWSTOLHBI-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine

1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (PubChem CID 10591108) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
PubChem CID10591108
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2S/c1-2-16-8-9(10(15-16)11(12,13)14)20(18,19)17-6-4-3-5-7-17/h8H,2-7H2,1H3
InChIKeyUHLIIOWSTOLHBI-UHFFFAOYSA-N
XLogP2.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 6465895
CID 6465895
CID 6466875
CID 6466875
CID 13342783
CID 13342783
CID 19620090
CID 19620090
CID 6468008
CID 6468008
CID 25247406
CID 25247406
CID 2794561
CID 2794561
CID 6485338
CID 6485338
CID 6485422
CID 6485422
CID 17024580
CID 17024580
CID 19576914
CID 19576914
CID 50896808
CID 50896808

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (CID 10591108) is 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is CCn1cc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The InChIKey is UHLIIOWSTOLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-2-16-8-9(10(15-16)11(12,13)14)20(18,19)17-6-4-3-5-7-17/h8H,2-7H2,1H3.
What are the key properties of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine has a molecular weight of 311.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 10591108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).