4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine

C11H16F3N3 — CID 174287974

IUPAC4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine
SMILESCc1cc(C(F)(F)F)n(CC2CCNCC2)n1
InChIInChI=1S/C11H16F3N3/c1-8-6-10(11(12,13)14)17(16-8)7-9-2-4-15-5-3-9/h6,9,15H,2-5,7H2,1H3
InChIKeyGGXBSARCUQIILA-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.21
Rot. Bonds2

About 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine

4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine (PubChem CID 174287974) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine
PubChem CID174287974
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine
SMILESCc1cc(C(F)(F)F)n(CC2CCNCC2)n1
InChIInChI=1S/C11H16F3N3/c1-8-6-10(11(12,13)14)17(16-8)7-9-2-4-15-5-3-9/h6,9,15H,2-5,7H2,1H3
InChIKeyGGXBSARCUQIILA-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 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine (CID 174287974) is 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine is Cc1cc(C(F)(F)F)n(CC2CCNCC2)n1.
What is the InChIKey of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is GGXBSARCUQIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-8-6-10(11(12,13)14)17(16-8)7-9-2-4-15-5-3-9/h6,9,15H,2-5,7H2,1H3.
What are the key properties of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine?
4-[[3-methyl-5-(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 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 174287974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).