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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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).