3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine

C11H16F3N3 — CID 121211702

IUPAC3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine
SMILESCc1cc(C(F)(F)F)nn1CC1CCCNC1
InChIInChI=1S/C11H16F3N3/c1-8-5-10(11(12,13)14)16-17(8)7-9-3-2-4-15-6-9/h5,9,15H,2-4,6-7H2,1H3
InChIKeyYZYRNLAYPKTHLH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.21
Rot. Bonds2

About 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine

3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine (PubChem CID 121211702) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine
PubChem CID121211702
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine
SMILESCc1cc(C(F)(F)F)nn1CC1CCCNC1
InChIInChI=1S/C11H16F3N3/c1-8-5-10(11(12,13)14)16-17(8)7-9-3-2-4-15-6-9/h5,9,15H,2-4,6-7H2,1H3
InChIKeyYZYRNLAYPKTHLH-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine (CID 121211702) is 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine is Cc1cc(C(F)(F)F)nn1CC1CCCNC1.
What is the InChIKey of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is YZYRNLAYPKTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-8-5-10(11(12,13)14)16-17(8)7-9-3-2-4-15-6-9/h5,9,15H,2-4,6-7H2,1H3.
What are the key properties of 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 121211702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).