6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

C15H15F3N6 — CID 56821476

IUPAC6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C15H15F3N6/c16-15(17,18)13-3-4-24(21-13)11-22-5-7-23(8-6-22)14-2-1-12(9-19)10-20-14/h1-4,10H,5-8,11H2
InChIKeySCOKXGCRGNESTM-UHFFFAOYSA-N
MW336.32 g/mol
LogP1.95
Rot. Bonds3

About 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 56821476) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID56821476
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C15H15F3N6/c16-15(17,18)13-3-4-24(21-13)11-22-5-7-23(8-6-22)14-2-1-12(9-19)10-20-14/h1-4,10H,5-8,11H2
InChIKeySCOKXGCRGNESTM-UHFFFAOYSA-N
XLogP1.95
TPSA60.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 47068773
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817691
3-fluoro-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 38559597
6-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)pyridine-3-carbonitrile
CID 166214209
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35869346
6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 18133063
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
5,6-dimethyl-3-oxo-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyridazine-4-carbonitrile
CID 9240078
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 153358176
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124752860

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 56821476) is 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)nc1.
What is the InChIKey of 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SCOKXGCRGNESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6/c16-15(17,18)13-3-4-24(21-13)11-22-5-7-23(8-6-22)14-2-1-12(9-19)10-20-14/h1-4,10H,5-8,11H2.
What are the key properties of 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 336.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56821476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).