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

C10H14F3N3 — CID 115039341

IUPAC4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
SMILESFC(F)(F)c1cn[nH]c1CC1CCNCC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-6-15-16-9(8)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2,(H,15,16)
InChIKeyCUSNWBVQYPYUHE-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.97
Rot. Bonds2

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

4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine (PubChem CID 115039341) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
PubChem CID115039341
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine
SMILESFC(F)(F)c1cn[nH]c1CC1CCNCC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-6-15-16-9(8)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2,(H,15,16)
InChIKeyCUSNWBVQYPYUHE-UHFFFAOYSA-N
XLogP1.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine (CID 115039341) is 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine is FC(F)(F)c1cn[nH]c1CC1CCNCC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine?
The InChIKey is CUSNWBVQYPYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)8-6-15-16-9(8)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2,(H,15,16).
What are the key properties of 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine?
4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 115039341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).