2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile

C15H18F3N5 — CID 71927027

IUPAC2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile
SMILESN#CCCC(C#N)CN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H18F3N5/c16-15(17,18)14-7-13(21-22-14)12-4-2-6-23(10-12)9-11(8-20)3-1-5-19/h7,11-12H,1-4,6,9-10H2,(H,21,22)
InChIKeyOJAREHRCAZBJIS-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.05
Rot. Bonds5

About 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile

2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile (PubChem CID 71927027) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile
PubChem CID71927027
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile
SMILESN#CCCC(C#N)CN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H18F3N5/c16-15(17,18)14-7-13(21-22-14)12-4-2-6-23(10-12)9-11(8-20)3-1-5-19/h7,11-12H,1-4,6,9-10H2,(H,21,22)
InChIKeyOJAREHRCAZBJIS-UHFFFAOYSA-N
XLogP3.05
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile?
The IUPAC name of 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile (CID 71927027) is 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile is N#CCCC(C#N)CN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile?
The InChIKey is OJAREHRCAZBJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5/c16-15(17,18)14-7-13(21-22-14)12-4-2-6-23(10-12)9-11(8-20)3-1-5-19/h7,11-12H,1-4,6,9-10H2,(H,21,22).
What are the key properties of 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile?
2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile has a molecular weight of 325.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 71927027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).