2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C15H24F3N5O2S — CID 136760269

IUPAC2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCCC1CC(C(F)(F)F)n2nc(C3CCCN3S(=O)(=O)N(C)C)cc2N1
InChIInChI=1S/C15H24F3N5O2S/c1-4-10-8-13(15(16,17)18)23-14(19-10)9-11(20-23)12-6-5-7-22(12)26(24,25)21(2)3/h9-10,12-13,19H,4-8H2,1-3H3
InChIKeyBENMZVGTRNOHGF-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.52
Rot. Bonds4

About 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 136760269) has the molecular formula C15H24F3N5O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID136760269
Molecular FormulaC15H24F3N5O2S
Molecular Weight395.45 g/mol
Exact Mass395.16
IUPAC Name2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCCC1CC(C(F)(F)F)n2nc(C3CCCN3S(=O)(=O)N(C)C)cc2N1
InChIInChI=1S/C15H24F3N5O2S/c1-4-10-8-13(15(16,17)18)23-14(19-10)9-11(20-23)12-6-5-7-22(12)26(24,25)21(2)3/h9-10,12-13,19H,4-8H2,1-3H3
InChIKeyBENMZVGTRNOHGF-UHFFFAOYSA-N
XLogP2.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-(1-ethylsulfonylpyrrolidin-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136907905
(5R,7S)-5-ethyl-2-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136892144
(5R,7R)-5-ethyl-2-[(2S)-1-prop-2-enylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136892477
cyclopropyl-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136760487
1-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 136760485
(5R,7R)-2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136734883
(5-ethyl-1,2-oxazol-3-yl)-[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136735047
[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 136892558
[(2S)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 136734873
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136734871
(5R,7R)-5-ethyl-2-(1-propan-2-ylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136760447
[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 136820989

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 136760269) is 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is CCC1CC(C(F)(F)F)n2nc(C3CCCN3S(=O)(=O)N(C)C)cc2N1.
What is the InChIKey of 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is BENMZVGTRNOHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O2S/c1-4-10-8-13(15(16,17)18)23-14(19-10)9-11(20-23)12-6-5-7-22(12)26(24,25)21(2)3/h9-10,12-13,19H,4-8H2,1-3H3.
What are the key properties of 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 395.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 136760269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).