2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide

C21H21F3N4OS — CID 156574602

IUPAC2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1cccc(C(F)(F)F)c1N1CCCCC1
InChIInChI=1S/C21H21F3N4OS/c22-21(23,24)16-7-4-6-15(19(16)28-9-2-1-3-10-28)20(29)25-13-14-12-17(27-26-14)18-8-5-11-30-18/h4-8,11-12H,1-3,9-10,13H2,(H,25,29)(H,26,27)
InChIKeyBYUUHRYZAQWAPK-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.08
Rot. Bonds5

About 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide

2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 156574602) has the molecular formula C21H21F3N4OS and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID156574602
Molecular FormulaC21H21F3N4OS
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1cccc(C(F)(F)F)c1N1CCCCC1
InChIInChI=1S/C21H21F3N4OS/c22-21(23,24)16-7-4-6-15(19(16)28-9-2-1-3-10-28)20(29)25-13-14-12-17(27-26-14)18-8-5-11-30-18/h4-8,11-12H,1-3,9-10,13H2,(H,25,29)(H,26,27)
InChIKeyBYUUHRYZAQWAPK-UHFFFAOYSA-N
XLogP5.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 66857424
N-(3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 23583059
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}thiophene-3-carboxamide
CID 91887878
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24687753
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980153
3-(3-fluorophenyl)-5-(2-thienylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42530235
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49795478
3-(4-fluoro-2-methylphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795849
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156565670

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (CID 156574602) is 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccc(C(F)(F)F)c1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BYUUHRYZAQWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4OS/c22-21(23,24)16-7-4-6-15(19(16)28-9-2-1-3-10-28)20(29)25-13-14-12-17(27-26-14)18-8-5-11-30-18/h4-8,11-12H,1-3,9-10,13H2,(H,25,29)(H,26,27).
What are the key properties of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 434.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 156574602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).