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2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C17H21F3N4O — CID 177050234

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCC(C)(C)C(N)=O.FC(F)(F)c1cc(-n2cc3c(n2)CCC3)ccn1
InChIInChI=1S/C12H10F3N3.C5H11NO/c13-12(14,15)11-6-9(4-5-16-11)18-7-8-2-1-3-10(8)17-18;1-5(2,3)4(6)7/h4-7H,1-3H2;1-3H3,(H2,6,7)
InChIKeyARUZLAXTYVHXCF-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.29
Rot. Bonds1

About 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 177050234) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID177050234
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCC(C)(C)C(N)=O.FC(F)(F)c1cc(-n2cc3c(n2)CCC3)ccn1
InChIInChI=1S/C12H10F3N3.C5H11NO/c13-12(14,15)11-6-9(4-5-16-11)18-7-8-2-1-3-10(8)17-18;1-5(2,3)4(6)7/h4-7H,1-3H2;1-3H3,(H2,6,7)
InChIKeyARUZLAXTYVHXCF-UHFFFAOYSA-N
XLogP3.29
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 177050234) is 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is CC(C)(C)C(N)=O.FC(F)(F)c1cc(-n2cc3c(n2)CCC3)ccn1.
What is the InChIKey of 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is ARUZLAXTYVHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3.C5H11NO/c13-12(14,15)11-6-9(4-5-16-11)18-7-8-2-1-3-10(8)17-18;1-5(2,3)4(6)7/h4-7H,1-3H2;1-3H3,(H2,6,7).
What are the key properties of 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 354.38 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 177050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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