1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine

C11H16F3N3 — CID 154206033

IUPAC1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
SMILESCc1cc(N2CCCCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-9-7-10(16-5-3-2-4-6-16)17(15-9)8-11(12,13)14/h7H,2-6,8H2,1H3
InChIKeyGDXQJIASGIISRK-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.74
Rot. Bonds2

About 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine

1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine (PubChem CID 154206033) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
PubChem CID154206033
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
SMILESCc1cc(N2CCCCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-9-7-10(16-5-3-2-4-6-16)17(15-9)8-11(12,13)14/h7H,2-6,8H2,1H3
InChIKeyGDXQJIASGIISRK-UHFFFAOYSA-N
XLogP2.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CID 646883
2-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135600434
2-(Trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136621556
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
1-(1,3-dimethyl-1H-pyrazol-5-yl)piperidin-3-amine
CID 86775623
2-methyl-6-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 135833150
2,5-Dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646596
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-5-amine
CID 25247599
N,N-dimethyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 56996826
Methyl-[1-pentyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 68299542

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
The IUPAC name of 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine (CID 154206033) is 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine.
What is the SMILES notation for 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
The canonical SMILES for 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine is Cc1cc(N2CCCCC2)n(CC(F)(F)F)n1.
What is the InChIKey of 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
The InChIKey is GDXQJIASGIISRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-9-7-10(16-5-3-2-4-6-16)17(15-9)8-11(12,13)14/h7H,2-6,8H2,1H3.
What are the key properties of 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine is sourced from PubChem (CID 154206033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).