(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C15H14F4N4O — CID 145008269

IUPAC(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(CF)n1)C[C@@H]2C
InChIInChI=1S/C15H14F4N4O/c1-8-6-20-23-9(2)7-22(14(24)13(8)23)12-4-3-10(15(17,18)19)11(5-16)21-12/h3-4,6,9H,5,7H2,1-2H3/t9-/m0/s1
InChIKeyZBVFEUMVTONLNO-VIFPVBQESA-N
MW342.30 g/mol
LogP3.30
Rot. Bonds2

About (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 145008269) has the molecular formula C15H14F4N4O and a molecular weight of 342.30 g/mol. Its IUPAC name is (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID145008269
Molecular FormulaC15H14F4N4O
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(CF)n1)C[C@@H]2C
InChIInChI=1S/C15H14F4N4O/c1-8-6-20-23-9(2)7-22(14(24)13(8)23)12-4-3-10(15(17,18)19)11(5-16)21-12/h3-4,6,9H,5,7H2,1-2H3/t9-/m0/s1
InChIKeyZBVFEUMVTONLNO-VIFPVBQESA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.30
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
5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008195
5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008242
(7S)-3-iodo-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 158279765
7-methyl-3-(2-methyl-4-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123756240
(7S)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159136180
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-3-iodo-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159643492
(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157464013
(7S)-3-(aminomethyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700910
(7S)-3-[2-(6-amino-3-pyridinyl)ethynyl]-5-[3-((18F)fluoromethyl)-4-(trifluoromethyl)phenyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 155618856
(7S)-5-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 118700930
(7S)-3-amino-5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118861608

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 145008269) is (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(CF)n1)C[C@@H]2C.
What is the InChIKey of (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZBVFEUMVTONLNO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F4N4O/c1-8-6-20-23-9(2)7-22(14(24)13(8)23)12-4-3-10(15(17,18)19)11(5-16)21-12/h3-4,6,9H,5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 342.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 145008269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).