3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine

C11H15BrF3N3 — CID 165429550

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCCC(Cn2cc(Br)cn2)C1
InChIInChI=1S/C11H15BrF3N3/c12-10-4-16-18(7-10)6-9-2-1-3-17(5-9)8-11(13,14)15/h4,7,9H,1-3,5-6,8H2
InChIKeyABMIIHNWTLZCEP-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.92
Rot. Bonds3

About 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine

3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 165429550) has the molecular formula C11H15BrF3N3 and a molecular weight of 326.16 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID165429550
Molecular FormulaC11H15BrF3N3
Molecular Weight326.16 g/mol
Exact Mass325.04
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCCC(Cn2cc(Br)cn2)C1
InChIInChI=1S/C11H15BrF3N3/c12-10-4-16-18(7-10)6-9-2-1-3-17(5-9)8-11(13,14)15/h4,7,9H,1-3,5-6,8H2
InChIKeyABMIIHNWTLZCEP-UHFFFAOYSA-N
XLogP2.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine (CID 165429550) is 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine is FC(F)(F)CN1CCCC(Cn2cc(Br)cn2)C1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is ABMIIHNWTLZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3/c12-10-4-16-18(7-10)6-9-2-1-3-17(5-9)8-11(13,14)15/h4,7,9H,1-3,5-6,8H2.
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 326.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 165429550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).