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

C10H14F3N3O2S — CID 10518101

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S/c1-15-7-8(9(14-15)10(11,12)13)19(17,18)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyVENOLFAFYFLPPB-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.61
Rot. Bonds2

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

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (PubChem CID 10518101) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
PubChem CID10518101
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S/c1-15-7-8(9(14-15)10(11,12)13)19(17,18)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyVENOLFAFYFLPPB-UHFFFAOYSA-N
XLogP1.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (CID 10518101) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is Cn1cc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The InChIKey is VENOLFAFYFLPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-15-7-8(9(14-15)10(11,12)13)19(17,18)16-5-3-2-4-6-16/h7H,2-6H2,1H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine has a molecular weight of 297.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 10518101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).