1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine

C24H21F3N4S — CID 59633173

IUPAC1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc(N4CCNCC4)cc3)s2)n(-c2ccccc2)n1
InChIInChI=1S/C24H21F3N4S/c25-24(26,27)23-16-20(31(29-23)19-4-2-1-3-5-19)22-11-10-21(32-22)17-6-8-18(9-7-17)30-14-12-28-13-15-30/h1-11,16,28H,12-15H2
InChIKeyDXAHPCNRVRHQLM-UHFFFAOYSA-N
MW454.52 g/mol
LogP5.70
Rot. Bonds4

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

1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine (PubChem CID 59633173) has the molecular formula C24H21F3N4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine
PubChem CID59633173
Molecular FormulaC24H21F3N4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc(N4CCNCC4)cc3)s2)n(-c2ccccc2)n1
InChIInChI=1S/C24H21F3N4S/c25-24(26,27)23-16-20(31(29-23)19-4-2-1-3-5-19)22-11-10-21(32-22)17-6-8-18(9-7-17)30-14-12-28-13-15-30/h1-11,16,28H,12-15H2
InChIKeyDXAHPCNRVRHQLM-UHFFFAOYSA-N
XLogP5.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
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CID 4792479
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-ethylpiperazine
CID 70731622
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
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2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
CID 6623236
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1-[[4-[1-(4-Methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]piperazine
CID 118714699
4-Ethyl-N-{[1-phenyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}aniline
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3-(4-methylphenyl)-1-phenyl-5-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)pyrazole
CID 172450453
(1S)-N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine
CID 42286094
1-[[5-(2-Fluorophenyl)-1-(4-thiophen-3-ylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 11441855
1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine?
The IUPAC name of 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine (CID 59633173) is 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine.
What is the SMILES notation for 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine?
The canonical SMILES for 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine is FC(F)(F)c1cc(-c2ccc(-c3ccc(N4CCNCC4)cc3)s2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine?
The InChIKey is DXAHPCNRVRHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4S/c25-24(26,27)23-16-20(31(29-23)19-4-2-1-3-5-19)22-11-10-21(32-22)17-6-8-18(9-7-17)30-14-12-28-13-15-30/h1-11,16,28H,12-15H2.
What are the key properties of 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine?
1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine has a molecular weight of 454.52 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]piperazine is sourced from PubChem (CID 59633173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).