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

C17H21F3N4O — CID 177050234

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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Related Compounds

2-(2-ethoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazole;1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051432
4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine
CID 135228206
2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 177050036
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-amine
CID 177051594
1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;2-[3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazole
CID 177051164
3-(1,1-difluoroethyl)-1-methyl-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177051292
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]pyrazole-5-carboxamide
CID 177050497
3-(difluoromethyl)-1-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177051259
3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177050752
N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051201
3,5-difluoro-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050146
4-methylsulfonyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
CID 177050976

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).