1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine

C9H12F3N3O2S — CID 61274671

IUPAC1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-1-3-15(6-7)18(16,17)8-4-13-14-5-8/h4-5,7H,1-3,6H2,(H,13,14)
InChIKeySDMUTDVVGJAQTO-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.37
Rot. Bonds2

About 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine

1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine (PubChem CID 61274671) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
PubChem CID61274671
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-1-3-15(6-7)18(16,17)8-4-13-14-5-8/h4-5,7H,1-3,6H2,(H,13,14)
InChIKeySDMUTDVVGJAQTO-UHFFFAOYSA-N
XLogP1.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine (CID 61274671) is 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine is O=S(=O)(c1cn[nH]c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine?
The InChIKey is SDMUTDVVGJAQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-1-3-15(6-7)18(16,17)8-4-13-14-5-8/h4-5,7H,1-3,6H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine?
1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine has a molecular weight of 283.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 61274671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).