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

C13H17F3N6 — CID 127807229

IUPAC1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCn1cc(CN2CCCC(n3ccc(C(F)(F)F)n3)C2)nn1
InChIInChI=1S/C13H17F3N6/c1-20-7-10(17-19-20)8-21-5-2-3-11(9-21)22-6-4-12(18-22)13(14,15)16/h4,6-7,11H,2-3,5,8-9H2,1H3
InChIKeyZUHOMQCZXQICET-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.87
Rot. Bonds3

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

1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 127807229) has the molecular formula C13H17F3N6 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID127807229
Molecular FormulaC13H17F3N6
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCn1cc(CN2CCCC(n3ccc(C(F)(F)F)n3)C2)nn1
InChIInChI=1S/C13H17F3N6/c1-20-7-10(17-19-20)8-21-5-2-3-11(9-21)22-6-4-12(18-22)13(14,15)16/h4,6-7,11H,2-3,5,8-9H2,1H3
InChIKeyZUHOMQCZXQICET-UHFFFAOYSA-N
XLogP1.87
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-Methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine
CID 46982528
2-[1-[1-(4-Pyrazol-1-ylbutan-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46985562
1-methyl-4-[2-(3-methyl-4-{[3-(1H-pyrazol-1-yl)azetidin-1-yl]methyl}-1H-pyrazol-1-yl)ethyl]piperazine
CID 50982508
N-ethyl-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(1H-pyrazol-1-yl)ethanamine
CID 91831244
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933
1-(1-ethyl-1H-pyrazol-3-yl)-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 118773108
(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
CID 136585137
5-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281538
3-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281539
1-(3-Fluoro-1-methylpiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281655
1-(1-Ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281656
1-[1-(2-Fluoroethyl)-4-piperidinyl]-3-methyl-1H-pyrazol-4-amine
CID 87765467

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 127807229) is 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is Cn1cc(CN2CCCC(n3ccc(C(F)(F)F)n3)C2)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is ZUHOMQCZXQICET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6/c1-20-7-10(17-19-20)8-21-5-2-3-11(9-21)22-6-4-12(18-22)13(14,15)16/h4,6-7,11H,2-3,5,8-9H2,1H3.
What are the key properties of 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 314.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 127807229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).