1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine

C11H16F3N3O2S — CID 60700130

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(8(2)16-15-7)20(18,19)17-5-3-4-9(6-17)11(12,13)14/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyZTJMGYOSBMVYHI-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.99
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine (PubChem CID 60700130) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
PubChem CID60700130
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(8(2)16-15-7)20(18,19)17-5-3-4-9(6-17)11(12,13)14/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyZTJMGYOSBMVYHI-UHFFFAOYSA-N
XLogP1.99
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine (CID 60700130) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
The InChIKey is ZTJMGYOSBMVYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-7-10(8(2)16-15-7)20(18,19)17-5-3-4-9(6-17)11(12,13)14/h9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine has a molecular weight of 311.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 60700130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).