1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine

C13H20F3N3 — CID 90162152

IUPAC1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
SMILESCC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N3/c1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18/h9-10H,3-8H2,1-2H3
InChIKeyCQADTOXGMBNPFJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.47
Rot. Bonds3

About 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine

1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine (PubChem CID 90162152) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
PubChem CID90162152
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
SMILESCC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N3/c1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18/h9-10H,3-8H2,1-2H3
InChIKeyCQADTOXGMBNPFJ-UHFFFAOYSA-N
XLogP3.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine (CID 90162152) is 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine is CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine?
The InChIKey is CQADTOXGMBNPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine?
1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine has a molecular weight of 275.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 90162152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).