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

C14H20F3N3O3S — CID 128780083

IUPAC4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(OC3CCC3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O3S/c1-19-9-12(13(18-19)14(15,16)17)24(21,22)20-7-5-11(6-8-20)23-10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKeyROCBCICKFOBKTM-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.16
Rot. Bonds4

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

4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (PubChem CID 128780083) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
PubChem CID128780083
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(OC3CCC3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O3S/c1-19-9-12(13(18-19)14(15,16)17)24(21,22)20-7-5-11(6-8-20)23-10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKeyROCBCICKFOBKTM-UHFFFAOYSA-N
XLogP2.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The IUPAC name of 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine (CID 128780083) is 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine.
What is the SMILES notation for 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The canonical SMILES for 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is Cn1cc(S(=O)(=O)N2CCC(OC3CCC3)CC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
The InChIKey is ROCBCICKFOBKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-19-9-12(13(18-19)14(15,16)17)24(21,22)20-7-5-11(6-8-20)23-10-3-2-4-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine?
4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine has a molecular weight of 367.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidine is sourced from PubChem (CID 128780083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).