(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C13H11F3N4O — CID 118700929

IUPAC(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cn2)C(=O)c2ccnn21
InChIInChI=1S/C13H11F3N4O/c1-8-7-19(12(21)10-4-5-18-20(8)10)11-3-2-9(6-17-11)13(14,15)16/h2-6,8H,7H2,1H3/t8-/m0/s1
InChIKeyIIQIPVUSZPSNKX-QMMMGPOBSA-N
MW296.25 g/mol
LogP2.52
Rot. Bonds1

About (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118700929) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118700929
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cn2)C(=O)c2ccnn21
InChIInChI=1S/C13H11F3N4O/c1-8-7-19(12(21)10-4-5-18-20(8)10)11-3-2-9(6-17-11)13(14,15)16/h2-6,8H,7H2,1H3/t8-/m0/s1
InChIKeyIIQIPVUSZPSNKX-QMMMGPOBSA-N
XLogP2.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 158333746
7-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 121300669
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 143049847
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide
CID 118693869
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
(7S)-7-methyl-3-(2-(111C)methyl-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159932786
(7S)-3-(aminomethyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700910
(7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123378023
(7S)-7-methyl-3-quinoxalin-6-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 155661695

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118700929) is (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(C(F)(F)F)cn2)C(=O)c2ccnn21.
What is the InChIKey of (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IIQIPVUSZPSNKX-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-8-7-19(12(21)10-4-5-18-20(8)10)11-3-2-9(6-17-11)13(14,15)16/h2-6,8H,7H2,1H3/t8-/m0/s1.
What are the key properties of (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 296.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118700929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).