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

C11H16F3N3 — CID 174285713

IUPAC4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
SMILESCn1nc(CC2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-17-10(11(12,13)14)7-9(16-17)6-8-2-4-15-5-3-8/h7-8,15H,2-6H2,1H3
InChIKeyGLIOCORGMIKMGP-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.98
Rot. Bonds2

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

4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine (PubChem CID 174285713) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
PubChem CID174285713
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
SMILESCn1nc(CC2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-17-10(11(12,13)14)7-9(16-17)6-8-2-4-15-5-3-8/h7-8,15H,2-6H2,1H3
InChIKeyGLIOCORGMIKMGP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine (CID 174285713) is 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine is Cn1nc(CC2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
The InChIKey is GLIOCORGMIKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-17-10(11(12,13)14)7-9(16-17)6-8-2-4-15-5-3-8/h7-8,15H,2-6H2,1H3.
What are the key properties of 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine?
4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine has a molecular weight of 247.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 174285713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).