4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

C20H20F3N3S — CID 7075534

IUPAC4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1cccc(CN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)c1
InChIInChI=1S/C20H20F3N3S/c21-20(22,23)16-4-1-3-14(11-16)13-26-8-6-15(7-9-26)17-12-18(25-24-17)19-5-2-10-27-19/h1-5,10-12,15H,6-9,13H2,(H,24,25)
InChIKeyXZRWTNCPHHCOSV-UHFFFAOYSA-N
MW391.46 g/mol
LogP5.54
Rot. Bonds4

About 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 7075534) has the molecular formula C20H20F3N3S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID7075534
Molecular FormulaC20H20F3N3S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1cccc(CN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)c1
InChIInChI=1S/C20H20F3N3S/c21-20(22,23)16-4-1-3-14(11-16)13-26-8-6-15(7-9-26)17-12-18(25-24-17)19-5-2-10-27-19/h1-5,10-12,15H,6-9,13H2,(H,24,25)
InChIKeyXZRWTNCPHHCOSV-UHFFFAOYSA-N
XLogP5.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 7075534) is 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1cccc(CN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)c1.
What is the InChIKey of 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is XZRWTNCPHHCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3S/c21-20(22,23)16-4-1-3-14(11-16)13-26-8-6-15(7-9-26)17-12-18(25-24-17)19-5-2-10-27-19/h1-5,10-12,15H,6-9,13H2,(H,24,25).
What are the key properties of 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 391.46 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 7075534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).