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

C21H19F5N4OS — CID 156574599

IUPAC2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1cc(C(F)(F)F)ccc1N1CCCC(F)(F)C1
InChIInChI=1S/C21H19F5N4OS/c22-20(23)6-2-7-30(12-20)17-5-4-13(21(24,25)26)9-15(17)19(31)27-11-14-10-16(29-28-14)18-3-1-8-32-18/h1,3-5,8-10H,2,6-7,11-12H2,(H,27,31)(H,28,29)
InChIKeyACPDZHMCPWQESL-UHFFFAOYSA-N
MW470.47 g/mol
LogP5.32
Rot. Bonds5

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

2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 156574599) has the molecular formula C21H19F5N4OS and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID156574599
Molecular FormulaC21H19F5N4OS
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1cc(C(F)(F)F)ccc1N1CCCC(F)(F)C1
InChIInChI=1S/C21H19F5N4OS/c22-20(23)6-2-7-30(12-20)17-5-4-13(21(24,25)26)9-15(17)19(31)27-11-14-10-16(29-28-14)18-3-1-8-32-18/h1,3-5,8-10H,2,6-7,11-12H2,(H,27,31)(H,28,29)
InChIKeyACPDZHMCPWQESL-UHFFFAOYSA-N
XLogP5.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24687753
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980153
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
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156565670
1-(2-fluorophenyl)-4-[(3-thien-2-yl-1H-pyrazol-5-yl)carbonyl]piperazine
CID 20906445
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
1-(3-Fluorobenzoyl)-4-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperazine
CID 75527371
1-(2-Fluorobenzoyl)-4-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperazine
CID 75527372
1-(3,4-Difluorobenzoyl)-4-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperazine
CID 75527394
(2,4-difluorophenyl){4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperazino}methanone
CID 75527413
3,4-Difluoro-N-{1-[3-(thiophen-2-YL)-1H-pyrazol-5-YL]piperidin-4-YL}benzamide
CID 75528388

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide (CID 156574599) is 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1cc(C(F)(F)F)ccc1N1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is ACPDZHMCPWQESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N4OS/c22-20(23)6-2-7-30(12-20)17-5-4-13(21(24,25)26)9-15(17)19(31)27-11-14-10-16(29-28-14)18-3-1-8-32-18/h1,3-5,8-10H,2,6-7,11-12H2,(H,27,31)(H,28,29).
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide?
2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 470.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 156574599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).