5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C16H16F3N3O2 — CID 145008242

IUPAC5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(N2CC(C)n3ncc(C)c3C2=O)ccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-9-7-20-22-10(2)8-21(15(23)14(9)22)11-4-5-12(16(17,18)19)13(6-11)24-3/h4-7,10H,8H2,1-3H3
InChIKeyGCMLLAHKWROABV-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.44
Rot. Bonds2

About 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 145008242) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID145008242
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(N2CC(C)n3ncc(C)c3C2=O)ccc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O2/c1-9-7-20-22-10(2)8-21(15(23)14(9)22)11-4-5-12(16(17,18)19)13(6-11)24-3/h4-7,10H,8H2,1-3H3
InChIKeyGCMLLAHKWROABV-UHFFFAOYSA-N
XLogP3.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008195
(7S)-N-(5-fluoro-3-pyridinyl)-5-[3-methoxy-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694232
(7S)-3-iodo-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 158279765
(7S)-5-[6-(fluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008269
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-3-iodo-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159643492
(7S)-5-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 118700930
(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
N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 140801502
(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-(2-fluoro-4-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 121293343
3-fluoro-4-methoxy-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693738
7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-3-(3-pyridin-2-yl-1,2-oxazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008272

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 145008242) is 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1cc(N2CC(C)n3ncc(C)c3C2=O)ccc1C(F)(F)F.
What is the InChIKey of 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GCMLLAHKWROABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9-7-20-22-10(2)8-21(15(23)14(9)22)11-4-5-12(16(17,18)19)13(6-11)24-3/h4-7,10H,8H2,1-3H3.
What are the key properties of 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 339.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 145008242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).