4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

C19H24F3N3 — CID 71781221

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCc1cc(C)n(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H24F3N3/c1-14-10-15(2)25(23-14)13-16-6-8-24(9-7-16)12-17-4-3-5-18(11-17)19(20,21)22/h3-5,10-11,16H,6-9,12-13H2,1-2H3
InChIKeyXKXKPCBNQOYLBT-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.43
Rot. Bonds4

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 71781221) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID71781221
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCc1cc(C)n(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C19H24F3N3/c1-14-10-15(2)25(23-14)13-16-6-8-24(9-7-16)12-17-4-3-5-18(11-17)19(20,21)22/h3-5,10-11,16H,6-9,12-13H2,1-2H3
InChIKeyXKXKPCBNQOYLBT-UHFFFAOYSA-N
XLogP4.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 71781221) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is Cc1cc(C)n(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is XKXKPCBNQOYLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-14-10-15(2)25(23-14)13-16-6-8-24(9-7-16)12-17-4-3-5-18(11-17)19(20,21)22/h3-5,10-11,16H,6-9,12-13H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 351.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 71781221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).