1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine

C9H12F3N3O2S — CID 102692807

IUPAC1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-1-5-15(6-7)18(16,17)8-3-4-13-14-8/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyGAJVMIQZHAOIAO-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.37
Rot. Bonds2

About 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine

1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine (PubChem CID 102692807) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
PubChem CID102692807
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-1-5-15(6-7)18(16,17)8-3-4-13-14-8/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyGAJVMIQZHAOIAO-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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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 61274671
1-(1H-pyrazol-4-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65530849
1-[[4-(chloromethyl)-1H-pyrazol-5-yl]sulfonyl]-3-(trifluoromethyl)piperidine
CID 65744978
N-methyl-1-[5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65824747
[5-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65824943
[5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65825324
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine (CID 102692807) is 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccn[nH]1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine?
The InChIKey is GAJVMIQZHAOIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-1-5-15(6-7)18(16,17)8-3-4-13-14-8/h3-4,7H,1-2,5-6H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine?
1-(1H-pyrazol-5-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-5-ylsulfonyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 102692807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).