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

C15H16F3N3 — CID 1482138

IUPAC4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cccc(-c2cc(C3CCNCC3)[nH]n2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-9-13(20-21-14)10-4-6-19-7-5-10/h1-3,8-10,19H,4-7H2,(H,20,21)
InChIKeyWTNXOBKJOIECIA-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.56
Rot. Bonds2

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

4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine (PubChem CID 1482138) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
PubChem CID1482138
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cccc(-c2cc(C3CCNCC3)[nH]n2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-9-13(20-21-14)10-4-6-19-7-5-10/h1-3,8-10,19H,4-7H2,(H,20,21)
InChIKeyWTNXOBKJOIECIA-UHFFFAOYSA-N
XLogP3.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine (CID 1482138) is 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine is FC(F)(F)c1cccc(-c2cc(C3CCNCC3)[nH]n2)c1.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The InChIKey is WTNXOBKJOIECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-9-13(20-21-14)10-4-6-19-7-5-10/h1-3,8-10,19H,4-7H2,(H,20,21).
What are the key properties of 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine has a molecular weight of 295.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 1482138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).