2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide

C9H8F5N3O — CID 168914516

IUPAC2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CC2
InChIInChI=1S/C9H8F5N3O/c10-8(11)2-1-4-6(9(12,13)14)16-17(7(4)8)3-5(15)18/h1-3H2,(H2,15,18)
InChIKeyPNEOADLOQLKGJM-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.43
Rot. Bonds2

About 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide

2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 168914516) has the molecular formula C9H8F5N3O and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID168914516
Molecular FormulaC9H8F5N3O
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Name2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CC2
InChIInChI=1S/C9H8F5N3O/c10-8(11)2-1-4-6(9(12,13)14)16-17(7(4)8)3-5(15)18/h1-3H2,(H2,15,18)
InChIKeyPNEOADLOQLKGJM-UHFFFAOYSA-N
XLogP1.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 86719820
2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 178084541
2-[4-oxo-1-(trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-3-yl]acetamide
CID 16671893
5-[5-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]ethyl]-2-(1H-pyrazol-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-fluorobenzamide
CID 166910493
5-[5-[2-(3,5-difluorophenyl)-1-[[2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]ethyl]-2-(3-hydroxy-3-methylazetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-fluorobenzamide
CID 166911369
N-[1-[3-(1-aminoisoquinolin-5-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
CID 166656008
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
5-[5-[2-(3,5-difluorophenyl)-1-[[2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]ethyl]-2-(4-pyridin-4-ylpiperazin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-fluorobenzamide
CID 166910436
N-[1-[6-chloro-3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide
CID 145080568
N-[amino(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 143868545
ethyl 2-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]acetate
CID 71187025

Frequently Asked Questions

What is the IUPAC name of 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide (CID 168914516) is 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide is NC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)CC2.
What is the InChIKey of 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is PNEOADLOQLKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N3O/c10-8(11)2-1-4-6(9(12,13)14)16-17(7(4)8)3-5(15)18/h1-3H2,(H2,15,18).
What are the key properties of 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide?
2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 269.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 168914516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).