4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine

C15H16F3N3 — CID 118167040

IUPAC4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
SMILESFC(F)(F)c1ccc(-n2nccc2C2CCNCC2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-1-3-13(4-2-12)21-14(7-10-20-21)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
InChIKeyLZNDJPGTNVYRLK-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.36
Rot. Bonds2

About 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine

4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine (PubChem CID 118167040) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
PubChem CID118167040
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
SMILESFC(F)(F)c1ccc(-n2nccc2C2CCNCC2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-1-3-13(4-2-12)21-14(7-10-20-21)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
InChIKeyLZNDJPGTNVYRLK-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine (CID 118167040) is 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine is FC(F)(F)c1ccc(-n2nccc2C2CCNCC2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine?
The InChIKey is LZNDJPGTNVYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-1-3-13(4-2-12)21-14(7-10-20-21)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2.
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine?
4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine has a molecular weight of 295.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine is sourced from PubChem (CID 118167040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).