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

C22H24F3N3S — CID 143534088

IUPAC4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
SMILESCn1nc(-c2ccc(CN3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C22H24F3N3S/c1-27-21(22(23,24)25)14-19(26-27)20-8-7-18(29-20)15-28-11-9-17(10-12-28)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3
InChIKeyFQBYJFJVJUHIEX-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.62
Rot. Bonds5

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

4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine (PubChem CID 143534088) has the molecular formula C22H24F3N3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
PubChem CID143534088
Molecular FormulaC22H24F3N3S
Molecular Weight419.52 g/mol
Exact Mass419.16
IUPAC Name4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
SMILESCn1nc(-c2ccc(CN3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C22H24F3N3S/c1-27-21(22(23,24)25)14-19(26-27)20-8-7-18(29-20)15-28-11-9-17(10-12-28)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3
InChIKeyFQBYJFJVJUHIEX-UHFFFAOYSA-N
XLogP5.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-Difluorophenyl)methyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68655604
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
4-[5-(2-thienyl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)benzyl]piperidine
CID 7075534
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine
CID 16190127
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-ethylpiperazine
CID 70731622
3-(2-Fluorophenyl)-5-methyl-2-(thiophen-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168280086
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 44716331
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinecarbonitrile
CID 70710662
(NZ)-N-[1-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-phenylsulfanylethylidene]hydroxylamine
CID 136230106

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine (CID 143534088) is 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine is Cn1nc(-c2ccc(CN3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F.
What is the InChIKey of 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine?
The InChIKey is FQBYJFJVJUHIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3S/c1-27-21(22(23,24)25)14-19(26-27)20-8-7-18(29-20)15-28-11-9-17(10-12-28)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3.
What are the key properties of 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine?
4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine has a molecular weight of 419.52 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine is sourced from PubChem (CID 143534088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).